2-(2-chloro-4-fluorophenyl)-3-methylpyridine

C12H9ClFN — CID 71659274

IUPAC2-(2-chloro-4-fluorophenyl)-3-methylpyridine
SMILESCc1cccnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3
InChIKeyJIRNHGKNCGXKQP-UHFFFAOYSA-N
MW221.66 g/mol
LogP3.85
Rot. Bonds1

About 2-(2-chloro-4-fluorophenyl)-3-methylpyridine

2-(2-chloro-4-fluorophenyl)-3-methylpyridine (PubChem CID 71659274) has the molecular formula C12H9ClFN and a molecular weight of 221.66 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-3-methylpyridine
PubChem CID71659274
Molecular FormulaC12H9ClFN
Molecular Weight221.66 g/mol
Exact Mass221.04
IUPAC Name2-(2-chloro-4-fluorophenyl)-3-methylpyridine
SMILESCc1cccnc1-c1ccc(F)cc1Cl
InChIInChI=1S/C12H9ClFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3
InChIKeyJIRNHGKNCGXKQP-UHFFFAOYSA-N
XLogP3.85
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.66
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-chloro-4-fluorophenyl)-3-methylpyridine 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

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Pheniramine
CID 4761
5-Ethyl-2-methylpyridine
CID 7728
2-(3-Phenylpropyl)Pyridine
CID 459494
Pyrifenox
CID 55790
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
2-Ethyl-5-methylpyridine
CID 519519
(-)-Chlorpheniramine
CID 716121
5-Hexyl-2-methyl pyridine
CID 522401
4-Chloroquinoline
CID 69140

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-methylpyridine?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-3-methylpyridine (CID 71659274) is 2-(2-chloro-4-fluorophenyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-3-methylpyridine?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-3-methylpyridine is Cc1cccnc1-c1ccc(F)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-3-methylpyridine?
The InChIKey is JIRNHGKNCGXKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN/c1-8-3-2-6-15-12(8)10-5-4-9(14)7-11(10)13/h2-7H,1H3.
What are the key properties of 2-(2-chloro-4-fluorophenyl)-3-methylpyridine?
2-(2-chloro-4-fluorophenyl)-3-methylpyridine has a molecular weight of 221.66 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-3-methylpyridine is sourced from PubChem (CID 71659274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).