3-phenyl-3-pyridin-2-ylpropanenitrile

C14H12N2 — CID 10465646

IUPAC3-phenyl-3-pyridin-2-ylpropanenitrile
SMILESN#CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2/c15-10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9H2
InChIKeyPFQMDOSESFMBJB-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.13
Rot. Bonds3

About 3-phenyl-3-pyridin-2-ylpropanenitrile

3-phenyl-3-pyridin-2-ylpropanenitrile (PubChem CID 10465646) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-phenyl-3-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-phenyl-3-pyridin-2-ylpropanenitrile
PubChem CID10465646
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-phenyl-3-pyridin-2-ylpropanenitrile
SMILESN#CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H12N2/c15-10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9H2
InChIKeyPFQMDOSESFMBJB-UHFFFAOYSA-N
XLogP3.13
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyl-6-pyridin-2-ylhexanenitrile
CID 138977587
3-phenyl-3-pyridin-3-ylpropanenitrile
CID 12632111
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
3-pyridin-2-ylheptanenitrile
CID 70542151
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
2,2-dipyridin-2-ylacetonitrile
CID 14006057
3-(4-hydroxyphenyl)-3-phenylpropanenitrile
CID 150364879
3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
CID 135358069
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
4-amino-4-pyridin-2-ylbutanenitrile
CID 116940079

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-phenyl-3-pyridin-2-ylpropanenitrile (CID 10465646) is 3-phenyl-3-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-phenyl-3-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-phenyl-3-pyridin-2-ylpropanenitrile is N#CCC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-3-pyridin-2-ylpropanenitrile?
The InChIKey is PFQMDOSESFMBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c15-10-9-13(12-6-2-1-3-7-12)14-8-4-5-11-16-14/h1-8,11,13H,9H2.
What are the key properties of 3-phenyl-3-pyridin-2-ylpropanenitrile?
3-phenyl-3-pyridin-2-ylpropanenitrile has a molecular weight of 208.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 10465646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).