2-(4-pyridin-2-ylphenyl)propanenitrile

C14H12N2 — CID 139809245

IUPAC2-(4-pyridin-2-ylphenyl)propanenitrile
SMILESCC(C#N)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H12N2/c1-11(10-15)12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9,11H,1H3
InChIKeyXCAFJWSUSXHIIC-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.38
Rot. Bonds2

About 2-(4-pyridin-2-ylphenyl)propanenitrile

2-(4-pyridin-2-ylphenyl)propanenitrile (PubChem CID 139809245) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-pyridin-2-ylphenyl)propanenitrile.

Molecular Properties

Compound Name2-(4-pyridin-2-ylphenyl)propanenitrile
PubChem CID139809245
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name2-(4-pyridin-2-ylphenyl)propanenitrile
SMILESCC(C#N)c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H12N2/c1-11(10-15)12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9,11H,1H3
InChIKeyXCAFJWSUSXHIIC-UHFFFAOYSA-N
XLogP3.38
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)pyridine;silver
CID 121395993
2-(2-pyridin-4-yl-4-pyridinyl)propanenitrile
CID 175295270
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
CID 173084530
(1S)-2,2,2-trifluoro-1-(4-pyridin-2-ylphenyl)ethanamine
CID 66510300
(2S)-2-(4-iodophenyl)propanenitrile
CID 135394754
2-(methylamino)-1-(4-pyridin-2-ylphenyl)ethanol
CID 70986853
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
CID 88530161
CID 88530161
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
CID 10468039
hydrazine;2-phenylpyridine
CID 158673997

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyridin-2-ylphenyl)propanenitrile?
The IUPAC name of 2-(4-pyridin-2-ylphenyl)propanenitrile (CID 139809245) is 2-(4-pyridin-2-ylphenyl)propanenitrile.
What is the SMILES notation for 2-(4-pyridin-2-ylphenyl)propanenitrile?
The canonical SMILES for 2-(4-pyridin-2-ylphenyl)propanenitrile is CC(C#N)c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 2-(4-pyridin-2-ylphenyl)propanenitrile?
The InChIKey is XCAFJWSUSXHIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-11(10-15)12-5-7-13(8-6-12)14-4-2-3-9-16-14/h2-9,11H,1H3.
What are the key properties of 2-(4-pyridin-2-ylphenyl)propanenitrile?
2-(4-pyridin-2-ylphenyl)propanenitrile has a molecular weight of 208.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyridin-2-ylphenyl)propanenitrile is sourced from PubChem (CID 139809245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).