2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile

C19H14N2 — CID 90976447

IUPAC2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
SMILESCc1cccc(-c2cccc(-c3ccccc3C#N)c2)n1
InChIInChI=1S/C19H14N2/c1-14-6-4-11-19(21-14)16-9-5-8-15(12-16)18-10-3-2-7-17(18)13-20/h2-12H,1H3
InChIKeyMPERLCLSTNTXSE-UHFFFAOYSA-N
MW270.33 g/mol
LogP4.60
Rot. Bonds2

About 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile

2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile (PubChem CID 90976447) has the molecular formula C19H14N2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
PubChem CID90976447
Molecular FormulaC19H14N2
Molecular Weight270.33 g/mol
Exact Mass270.12
IUPAC Name2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile
SMILESCc1cccc(-c2cccc(-c3ccccc3C#N)c2)n1
InChIInChI=1S/C19H14N2/c1-14-6-4-11-19(21-14)16-9-5-8-15(12-16)18-10-3-2-7-17(18)13-20/h2-12H,1H3
InChIKeyMPERLCLSTNTXSE-UHFFFAOYSA-N
XLogP4.60
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-tris[3,5-bis(6-methyl-2-pyridinyl)phenyl]-1,3,5-triazine
CID 129265668
2-methyl-6-(6-phenyl-2-pyridinyl)pyridine
CID 14698682
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]benzonitrile
CID 170215378
2-[3-[4-[4-[2-(2,6-diphenylpyrimidin-4-yl)-4-phenylphenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 174314829
1,3-bis(3-methylphenyl)-5-phenylbenzene;2,6-dimethylpyridine;1-methyl-2-(2-methylphenyl)benzene;2-methyl-6-[3-[3-(3-methylphenyl)phenyl]phenyl]pyridine;2-methyl-6-[3-(3-methylphenyl)phenyl]pyridine;2-methyl-6-(3-methylphenyl)pyridine;1-(3-methylphenyl)-3-[3-(3-methylphenyl)phenyl]-5-phenylbenzene;1,2-xylene
CID 161231009
2-[6-(6-phenylpyridazin-4-yl)-2-pyridinyl]benzonitrile
CID 10382230
2-[6-phenyl-2-[3-phenyl-5-(4-phenylphenyl)phenyl]pyrimidin-4-yl]benzonitrile
CID 168836971
2-[3,5-bis[5-(6-phenylpyridazin-3-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 170215173
2-(6-methyl-2-pyridinyl)-1H-benzimidazole-4-carbonitrile
CID 104720600
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 168837004

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile?
The IUPAC name of 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile (CID 90976447) is 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile.
What is the SMILES notation for 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile?
The canonical SMILES for 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile is Cc1cccc(-c2cccc(-c3ccccc3C#N)c2)n1.
What is the InChIKey of 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile?
The InChIKey is MPERLCLSTNTXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-14-6-4-11-19(21-14)16-9-5-8-15(12-16)18-10-3-2-7-17(18)13-20/h2-12H,1H3.
What are the key properties of 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile?
2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile has a molecular weight of 270.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2-pyridinyl)phenyl]benzonitrile is sourced from PubChem (CID 90976447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).