3-fluoro-5-methyl-2-(trifluoromethyl)pyridine

C7H5F4N — CID 23568437

IUPAC3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C7H5F4N/c1-4-2-5(8)6(12-3-4)7(9,10)11/h2-3H,1H3
InChIKeyFKBNOZUSLHHMAC-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.55
Rot. Bonds

About 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine

3-fluoro-5-methyl-2-(trifluoromethyl)pyridine (PubChem CID 23568437) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
PubChem CID23568437
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name3-fluoro-5-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cnc(C(F)(F)F)c(F)c1
InChIInChI=1S/C7H5F4N/c1-4-2-5(8)6(12-3-4)7(9,10)11/h2-3H,1H3
InChIKeyFKBNOZUSLHHMAC-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine 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 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine (CID 23568437) is 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine is Cc1cnc(C(F)(F)F)c(F)c1.
What is the InChIKey of 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is FKBNOZUSLHHMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c1-4-2-5(8)6(12-3-4)7(9,10)11/h2-3H,1H3.
What are the key properties of 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine?
3-fluoro-5-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 23568437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).