3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile

C13H8F2N2 — CID 165475556

IUPAC3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccnc(C(F)F)c2)c1
InChIInChI=1S/C13H8F2N2/c14-13(15)12-7-11(4-5-17-12)10-3-1-2-9(6-10)8-16/h1-7,13H
InChIKeyCFICXURFLFSSMG-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.56
Rot. Bonds2

About 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile

3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile (PubChem CID 165475556) has the molecular formula C13H8F2N2 and a molecular weight of 230.22 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile
PubChem CID165475556
Molecular FormulaC13H8F2N2
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2ccnc(C(F)F)c2)c1
InChIInChI=1S/C13H8F2N2/c14-13(15)12-7-11(4-5-17-12)10-3-1-2-9(6-10)8-16/h1-7,13H
InChIKeyCFICXURFLFSSMG-UHFFFAOYSA-N
XLogP3.56
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile 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

Pheniramine
CID 4761
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
Lanicemine
CID 9794203
4-(3-Phenylpropyl)pyridine
CID 74937
2,3'-Bipyridine
CID 11389
4-Benzylpyridine
CID 16458
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
1-Methyl-4-phenylpyridinium
CID 39484

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile?
The IUPAC name of 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile (CID 165475556) is 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile is N#Cc1cccc(-c2ccnc(C(F)F)c2)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile?
The InChIKey is CFICXURFLFSSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N2/c14-13(15)12-7-11(4-5-17-12)10-3-1-2-9(6-10)8-16/h1-7,13H.
What are the key properties of 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile?
3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile has a molecular weight of 230.22 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 165475556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).