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

C12H9FIN — CID 46312841

IUPAC2-(2-fluorophenyl)-3-iodo-4-methylpyridine
SMILESCc1ccnc(-c2ccccc2F)c1I
InChIInChI=1S/C12H9FIN/c1-8-6-7-15-12(11(8)14)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyWCAAPLOQGPXBPQ-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.80
Rot. Bonds1

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

2-(2-fluorophenyl)-3-iodo-4-methylpyridine (PubChem CID 46312841) has the molecular formula C12H9FIN and a molecular weight of 313.11 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-iodo-4-methylpyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-iodo-4-methylpyridine
PubChem CID46312841
Molecular FormulaC12H9FIN
Molecular Weight313.11 g/mol
Exact Mass312.98
IUPAC Name2-(2-fluorophenyl)-3-iodo-4-methylpyridine
SMILESCc1ccnc(-c2ccccc2F)c1I
InChIInChI=1S/C12H9FIN/c1-8-6-7-15-12(11(8)14)9-4-2-3-5-10(9)13/h2-7H,1H3
InChIKeyWCAAPLOQGPXBPQ-UHFFFAOYSA-N
XLogP3.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-3-iodo-4-methylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-iodo-4-methylpyridine?
The IUPAC name of 2-(2-fluorophenyl)-3-iodo-4-methylpyridine (CID 46312841) is 2-(2-fluorophenyl)-3-iodo-4-methylpyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-3-iodo-4-methylpyridine?
The canonical SMILES for 2-(2-fluorophenyl)-3-iodo-4-methylpyridine is Cc1ccnc(-c2ccccc2F)c1I.
What is the InChIKey of 2-(2-fluorophenyl)-3-iodo-4-methylpyridine?
The InChIKey is WCAAPLOQGPXBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FIN/c1-8-6-7-15-12(11(8)14)9-4-2-3-5-10(9)13/h2-7H,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-iodo-4-methylpyridine?
2-(2-fluorophenyl)-3-iodo-4-methylpyridine has a molecular weight of 313.11 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-iodo-4-methylpyridine is sourced from PubChem (CID 46312841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).