2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile

C21H15N3 — CID 14023164

IUPAC2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1cccc(C(C#N)c2ccccc2)n1
InChIInChI=1S/C21H15N3/c22-14-18(16-8-3-1-4-9-16)20-12-7-13-21(24-20)19(15-23)17-10-5-2-6-11-17/h1-13,18-19H
InChIKeyQLLXATBWQPCWHY-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.39
Rot. Bonds4

About 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile

2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile (PubChem CID 14023164) has the molecular formula C21H15N3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
PubChem CID14023164
Molecular FormulaC21H15N3
Molecular Weight309.37 g/mol
Exact Mass309.13
IUPAC Name2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)c1cccc(C(C#N)c2ccccc2)n1
InChIInChI=1S/C21H15N3/c22-14-18(16-8-3-1-4-9-16)20-12-7-13-21(24-20)19(15-23)17-10-5-2-6-11-17/h1-13,18-19H
InChIKeyQLLXATBWQPCWHY-UHFFFAOYSA-N
XLogP4.39
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
CID 623059
(2S)-2-(4-iodophenyl)-2-phenylacetonitrile
CID 97184112
2-(4-iodophenyl)-2-phenylacetonitrile
CID 71668972
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
2-naphthalen-2-yl-2-phenylacetonitrile
CID 44719900
(2R)-2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-2-phenylacetonitrile
CID 7039720
2-(3-aminophenyl)-2-pyridin-2-ylacetonitrile
CID 10536387
2-(3-methylquinoxalin-2-yl)-2-phenylacetonitrile
CID 117059598
(2R)-2-(3-phenoxyphenyl)-2-phenylacetonitrile
CID 129383217
2-(4-tert-butylphenyl)-2-phenylacetonitrile
CID 11414012
2,2-dipyridin-2-ylacetonitrile
CID 14006057
2-phenyl-2-(1,3-thiazol-5-yl)acetonitrile
CID 14782782

Frequently Asked Questions

What is the IUPAC name of 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile?
The IUPAC name of 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile (CID 14023164) is 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile?
The canonical SMILES for 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile is N#CC(c1ccccc1)c1cccc(C(C#N)c2ccccc2)n1.
What is the InChIKey of 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile?
The InChIKey is QLLXATBWQPCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3/c22-14-18(16-8-3-1-4-9-16)20-12-7-13-21(24-20)19(15-23)17-10-5-2-6-11-17/h1-13,18-19H.
What are the key properties of 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile?
2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile has a molecular weight of 309.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[cyano(phenyl)methyl]-2-pyridinyl]-2-phenylacetonitrile is sourced from PubChem (CID 14023164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).