1-phenyl-2H-pyridine-3-carbonitrile

C12H10N2 — CID 141103891

IUPAC1-phenyl-2H-pyridine-3-carbonitrile
SMILESN#CC1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C12H10N2/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h1-8H,10H2
InChIKeyRAENCYPNNPWYGK-UHFFFAOYSA-N
MW182.23 g/mol
LogP2.47
Rot. Bonds1

About 1-phenyl-2H-pyridine-3-carbonitrile

1-phenyl-2H-pyridine-3-carbonitrile (PubChem CID 141103891) has the molecular formula C12H10N2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-phenyl-2H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-phenyl-2H-pyridine-3-carbonitrile
PubChem CID141103891
Molecular FormulaC12H10N2
Molecular Weight182.23 g/mol
Exact Mass182.08
IUPAC Name1-phenyl-2H-pyridine-3-carbonitrile
SMILESN#CC1=CC=CN(c2ccccc2)C1
InChIInChI=1S/C12H10N2/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h1-8H,10H2
InChIKeyRAENCYPNNPWYGK-UHFFFAOYSA-N
XLogP2.47
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2H-pyridine-3-carbonitrile?
The IUPAC name of 1-phenyl-2H-pyridine-3-carbonitrile (CID 141103891) is 1-phenyl-2H-pyridine-3-carbonitrile.
What is the SMILES notation for 1-phenyl-2H-pyridine-3-carbonitrile?
The canonical SMILES for 1-phenyl-2H-pyridine-3-carbonitrile is N#CC1=CC=CN(c2ccccc2)C1.
What is the InChIKey of 1-phenyl-2H-pyridine-3-carbonitrile?
The InChIKey is RAENCYPNNPWYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2/c13-9-11-5-4-8-14(10-11)12-6-2-1-3-7-12/h1-8H,10H2.
What are the key properties of 1-phenyl-2H-pyridine-3-carbonitrile?
1-phenyl-2H-pyridine-3-carbonitrile has a molecular weight of 182.23 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2H-pyridine-3-carbonitrile is sourced from PubChem (CID 141103891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).