2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine

C13H11F2N — CID 59330244

IUPAC2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(CF)c(F)c2)nc1
InChIInChI=1S/C13H11F2N/c1-9-2-5-13(16-8-9)10-3-4-11(7-14)12(15)6-10/h2-6,8H,7H2,1H3
InChIKeyJFSRMSAZAXCJJK-UHFFFAOYSA-N
MW219.23 g/mol
LogP3.67
Rot. Bonds2

About 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine

2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine (PubChem CID 59330244) has the molecular formula C13H11F2N and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
PubChem CID59330244
Molecular FormulaC13H11F2N
Molecular Weight219.23 g/mol
Exact Mass219.09
IUPAC Name2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine
SMILESCc1ccc(-c2ccc(CF)c(F)c2)nc1
InChIInChI=1S/C13H11F2N/c1-9-2-5-13(16-8-9)10-3-4-11(7-14)12(15)6-10/h2-6,8H,7H2,1H3
InChIKeyJFSRMSAZAXCJJK-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-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-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine?
The IUPAC name of 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine (CID 59330244) is 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine.
What is the SMILES notation for 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine?
The canonical SMILES for 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine is Cc1ccc(-c2ccc(CF)c(F)c2)nc1.
What is the InChIKey of 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine?
The InChIKey is JFSRMSAZAXCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N/c1-9-2-5-13(16-8-9)10-3-4-11(7-14)12(15)6-10/h2-6,8H,7H2,1H3.
What are the key properties of 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine?
2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine has a molecular weight of 219.23 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(fluoromethyl)phenyl]-5-methylpyridine is sourced from PubChem (CID 59330244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).