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38076-78-7 molecular structure
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2-amino-5-methylpyridine-3-carbonitrile

ChemBase ID: 294195
Molecular Formular: C7H7N3
Molecular Mass: 133.15058
Monoisotopic Mass: 133.06399724
SMILES and InChIs

SMILES:
Cc1cnc(N)c(c1)C#N
Canonical SMILES:
N#Cc1cc(C)cnc1N
InChI:
InChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)10-4-5/h2,4H,1H3,(H2,9,10)
InChIKey:
OOKFORLRLLVDOD-UHFFFAOYSA-N

Cite this record

CBID:294195 http://www.chembase.cn/molecule-294195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-amino-5-methylpyridine-3-carbonitrile
IUPAC Traditional name
2-amino-5-methylpyridine-3-carbonitrile
Synonyms
2-Amino-5-methylnicotinonitrile
CAS Number
38076-78-7
MDL Number
MFCD07779068
PubChem SID
180679726
PubChem CID
13070842

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13070842 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.8851629  LogD (pH = 7.4) 0.89055336 
Log P 0.89062256  Molar Refractivity 39.6778 cm3
Polarizability 14.166274 Å3 Polar Surface Area 62.7 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source
96% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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