2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile

C14H12N2O — CID 117001889

IUPAC2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
SMILESCOc1cccc(-c2ncccc2CC#N)c1
InChIInChI=1S/C14H12N2O/c1-17-13-6-2-4-12(10-13)14-11(7-8-15)5-3-9-16-14/h2-6,9-10H,7H2,1H3
InChIKeyFVZCBZBMSZSIPL-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.82
Rot. Bonds3

About 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile

2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile (PubChem CID 117001889) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
PubChem CID117001889
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile
SMILESCOc1cccc(-c2ncccc2CC#N)c1
InChIInChI=1S/C14H12N2O/c1-17-13-6-2-4-12(10-13)14-11(7-8-15)5-3-9-16-14/h2-6,9-10H,7H2,1H3
InChIKeyFVZCBZBMSZSIPL-UHFFFAOYSA-N
XLogP2.82
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methoxyphenyl)-3-pyridinyl]methanamine
CID 82508828
2-[2-(3-methoxyphenyl)-3-pyridinyl]ethanol
CID 117001607
2-[2-(3-fluorophenyl)-3-pyridinyl]acetonitrile
CID 117001885
2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 119004765
2-(3-methoxyphenyl)-3-methylsulfanylpyridine;hydrochloride
CID 19850813
2-[2-[3-(2-methoxyethoxy)phenyl]phenyl]acetonitrile
CID 67272914
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(2-methoxy-5-pyridin-3-yl-3-pyridinyl)acetonitrile
CID 131869741
2-[2-(2-methylphenyl)-3-pyridinyl]acetonitrile
CID 117001881
2-(3-methoxy-2-phenyl-4-pyridinyl)acetonitrile
CID 133095599
2-[4-ethyl-2-(3-methoxyphenyl)-1,3-thiazol-5-yl]acetonitrile
CID 82430025
3-(3-methoxyphenyl)pyridine-2-carboxylic acid
CID 52983911

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile (CID 117001889) is 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile is COc1cccc(-c2ncccc2CC#N)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile?
The InChIKey is FVZCBZBMSZSIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-17-13-6-2-4-12(10-13)14-11(7-8-15)5-3-9-16-14/h2-6,9-10H,7H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile?
2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-3-pyridinyl]acetonitrile is sourced from PubChem (CID 117001889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).