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1187163-92-3 molecular structure
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4-(6-methoxypyridin-2-yl)benzonitrile

ChemBase ID: 796812
Molecular Formular: C13H10N2O
Molecular Mass: 210.2313
Monoisotopic Mass: 210.07931295
SMILES and InChIs

SMILES:
c1(ccc(cc1)c1nc(ccc1)OC)C#N
Canonical SMILES:
COc1cccc(n1)c1ccc(cc1)C#N
InChI:
InChI=1S/C13H10N2O/c1-16-13-4-2-3-12(15-13)11-7-5-10(9-14)6-8-11/h2-8H,1H3
InChIKey:
KVOUCSMAMRBLKH-UHFFFAOYSA-N

Cite this record

CBID:796812 http://www.chembase.cn/molecule-796812.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(6-methoxypyridin-2-yl)benzonitrile
IUPAC Traditional name
4-(6-methoxypyridin-2-yl)benzonitrile
Synonyms
4-(6-Methoxypyridin-2-yl)benzonitrile
CAS Number
1187163-92-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O4446 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O4446 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
LogD (pH = 7.4) 3.0815282  Log P 3.0815315 
Molar Refractivity 61.1636 cm3 Polarizability 24.770758 Å3
Polar Surface Area 45.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 3.0812666 

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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