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202217-19-4 molecular structure
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6-chloro-5-methyl-3-nitropyridin-2-amine

ChemBase ID: 292716
Molecular Formular: C6H6ClN3O2
Molecular Mass: 187.58374
Monoisotopic Mass: 187.01485413
SMILES and InChIs

SMILES:
Cc1c(Cl)nc(N)c(c1)[N+](=O)[O-]
Canonical SMILES:
[O-][N+](=O)c1cc(C)c(nc1N)Cl
InChI:
InChI=1S/C6H6ClN3O2/c1-3-2-4(10(11)12)6(8)9-5(3)7/h2H,1H3,(H2,8,9)
InChIKey:
VXAQCLXAYGVVBB-UHFFFAOYSA-N

Cite this record

CBID:292716 http://www.chembase.cn/molecule-292716.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-chloro-5-methyl-3-nitropyridin-2-amine
IUPAC Traditional name
6-chloro-5-methyl-3-nitropyridin-2-amine
Synonyms
6-Chloro-5-methyl-3-nitropyridin-2-amine
CAS Number
202217-19-4
PubChem SID
180678247
PubChem CID
21837379

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241579 Please log in.
Data Source Data ID
PubChem 21837379 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.329666  H Acceptors
H Donor LogD (pH = 5.5) 2.4487324 
LogD (pH = 7.4) 2.4487324  Log P 2.4487324 
Molar Refractivity 46.1428 cm3 Polarizability 16.300262 Å3
Polar Surface Area 82.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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