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31970-30-6 molecular structure
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5-(pyridin-3-yl)pyridin-2-amine

ChemBase ID: 802832
Molecular Formular: C10H9N3
Molecular Mass: 171.19856
Monoisotopic Mass: 171.0796473
SMILES and InChIs

SMILES:
n1c(ccc(c1)c1cnccc1)N
Canonical SMILES:
Nc1ccc(cn1)c1cccnc1
InChI:
InChI=1S/C10H9N3/c11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H,(H2,11,13)
InChIKey:
CYPQOKFUBWWAET-UHFFFAOYSA-N

Cite this record

CBID:802832 http://www.chembase.cn/molecule-802832.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(pyridin-3-yl)pyridin-2-amine
IUPAC Traditional name
5-(pyridin-3-yl)pyridin-2-amine
Synonyms
5-(PYRIDIN-3-YL)PYRIDIN-2-AMINE
CAS Number
31970-30-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O19403 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O19403 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.16438352  LogD (pH = 7.4) 0.92150396 
Log P 0.9506579  Molar Refractivity 51.8943 cm3
Polarizability 20.66697 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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