5-fluoro-4-phenylpyridine-3-carbonitrile

C12H7FN2 — CID 84668137

IUPAC5-fluoro-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1cncc(F)c1-c1ccccc1
InChIInChI=1S/C12H7FN2/c13-11-8-15-7-10(6-14)12(11)9-4-2-1-3-5-9/h1-5,7-8H
InChIKeyDKJJHPASFFMTGW-UHFFFAOYSA-N
MW198.20 g/mol
LogP2.76
Rot. Bonds1

About 5-fluoro-4-phenylpyridine-3-carbonitrile

5-fluoro-4-phenylpyridine-3-carbonitrile (PubChem CID 84668137) has the molecular formula C12H7FN2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 5-fluoro-4-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4-phenylpyridine-3-carbonitrile
PubChem CID84668137
Molecular FormulaC12H7FN2
Molecular Weight198.20 g/mol
Exact Mass198.06
IUPAC Name5-fluoro-4-phenylpyridine-3-carbonitrile
SMILESN#Cc1cncc(F)c1-c1ccccc1
InChIInChI=1S/C12H7FN2/c13-11-8-15-7-10(6-14)12(11)9-4-2-1-3-5-9/h1-5,7-8H
InChIKeyDKJJHPASFFMTGW-UHFFFAOYSA-N
XLogP2.76
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-4-phenylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenylpyridine-3,5-dicarbonitrile
CID 66612265
3-fluoro-2-phenylbenzonitrile
CID 46314737
3-chloro-5-fluoro-4-phenylpyridine
CID 130935796
3-fluoro-5-iodo-4-phenylpyridine
CID 131220912
5-fluoro-4-phenylpyridine-3-thiol
CID 130924467
3-(3,5-difluoro-4-pyridinyl)benzonitrile
CID 142452389
2,3-diphenylbenzene-1,4-dicarbonitrile
CID 174765818
(5-fluoro-4-phenyl-3-pyridinyl)methanol
CID 131556455
3-ethynyl-2-phenylbenzonitrile
CID 174660644
2-(3-cyano-5-fluoro-4-phenylphenyl)-5-hydroxypyridine-4-carboxylic acid
CID 45377253
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
4-(ethylamino)-5-phenylpyridine-3-carbonitrile
CID 69411207

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-phenylpyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-4-phenylpyridine-3-carbonitrile (CID 84668137) is 5-fluoro-4-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-4-phenylpyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-4-phenylpyridine-3-carbonitrile is N#Cc1cncc(F)c1-c1ccccc1.
What is the InChIKey of 5-fluoro-4-phenylpyridine-3-carbonitrile?
The InChIKey is DKJJHPASFFMTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2/c13-11-8-15-7-10(6-14)12(11)9-4-2-1-3-5-9/h1-5,7-8H.
What are the key properties of 5-fluoro-4-phenylpyridine-3-carbonitrile?
5-fluoro-4-phenylpyridine-3-carbonitrile has a molecular weight of 198.20 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 84668137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).