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2,6-dichloro-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)pyridine-4-carbohydrazide
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ChemBase ID:
84414
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Molecular Formular:
C10H11Cl2N5O
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Molecular Mass:
288.13324
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Monoisotopic Mass:
287.03406536
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SMILES and InChIs
SMILES:
n1c(cc(cc1Cl)C(=O)NNC1=NCCCN1)Cl
Canonical SMILES:
Clc1nc(Cl)cc(c1)C(=O)NNC1=NCCCN1
InChI:
InChI=1S/C10H11Cl2N5O/c11-7-4-6(5-8(12)15-7)9(18)16-17-10-13-2-1-3-14-10/h4-5H,1-3H2,(H,16,18)(H2,13,14,17)
InChIKey:
BQSMNUYQVATIRR-UHFFFAOYSA-N
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Cite this record
CBID:84414 http://www.chembase.cn/molecule-84414.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2,6-dichloro-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)pyridine-4-carbohydrazide
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IUPAC Traditional name
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2,6-dichloro-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)pyridine-4-carbohydrazide
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Synonyms
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N'4-(1,4,5,6-tetrahydropyrimidin-2-yl)-2,6-dichloropyridine-4-carbohydrazide
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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12.463202
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H Acceptors
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5
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H Donor
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3
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LogD (pH = 5.5)
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-1.4696366
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LogD (pH = 7.4)
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-0.65396464
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Log P
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0.9132109
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Molar Refractivity
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81.6161 cm3
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Polarizability
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25.951313 Å3
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Polar Surface Area
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78.41 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent