2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile

C19H14N2 — CID 156678731

IUPAC2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
SMILESCc1c(C#N)ccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C19H14N2/c1-14-16(13-20)10-11-17(15-7-3-2-4-8-15)19(14)18-9-5-6-12-21-18/h2-12H,1H3
InChIKeyAECWUTXOTKERBP-UHFFFAOYSA-N
MW270.34 g/mol
LogP4.60
Rot. Bonds2

About 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile

2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile (PubChem CID 156678731) has the molecular formula C19H14N2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile.

Molecular Properties

Compound Name2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
PubChem CID156678731
Molecular FormulaC19H14N2
Molecular Weight270.34 g/mol
Exact Mass270.12
IUPAC Name2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile
SMILESCc1c(C#N)ccc(-c2ccccc2)c1-c1ccccn1
InChIInChI=1S/C19H14N2/c1-14-16(13-20)10-11-17(15-7-3-2-4-8-15)19(14)18-9-5-6-12-21-18/h2-12H,1H3
InChIKeyAECWUTXOTKERBP-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 ≤ 500270.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-3,4,5,6-tetraphenylphenyl)pyridine
CID 23597792
4-(3-pyridin-2-ylphenyl)benzene-1,2,3-tricarbonitrile
CID 126496802
2-(3-pyridin-2-ylphenyl)benzene-1,3-dicarbonitrile
CID 126496742
5,5-dimethyl-9-phenyl-6-pyridin-2-yldibenzothiophene-3-carbonitrile
CID 170252290
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
6-methyl-4-pyridin-2-ylpyridine-3-carbonitrile
CID 82112135
2-(5-methylpyrimidin-2-yl)-3-phenylbenzonitrile
CID 58954363
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
2-chloro-4-phenyl-3-pyridin-2-ylpyridine
CID 174953397
4,6-diphenyl-2-pyridin-2-ylpyrimidine;ethane
CID 145283767
4,5-dimethyl-6-pyridin-2-ylpyridine-2,3-dicarbonitrile
CID 18716383
2-[(Z)-2-[3-[2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]-5-[(Z)-2-(2-phenyl-4-pyridin-2-ylphenyl)ethenyl]phenyl]ethenyl]-5-pyridin-2-ylbenzonitrile
CID 162264077

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile?
The IUPAC name of 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile (CID 156678731) is 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile.
What is the SMILES notation for 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile?
The canonical SMILES for 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile is Cc1c(C#N)ccc(-c2ccccc2)c1-c1ccccn1.
What is the InChIKey of 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile?
The InChIKey is AECWUTXOTKERBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2/c1-14-16(13-20)10-11-17(15-7-3-2-4-8-15)19(14)18-9-5-6-12-21-18/h2-12H,1H3.
What are the key properties of 2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile?
2-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile has a molecular weight of 270.34 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-methyl-4-phenyl-3-pyridin-2-ylbenzonitrile is sourced from PubChem (CID 156678731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).