3-(difluoromethyl)-2,4,6-trifluoropyridine

C6H2F5N — CID 130088806

IUPAC3-(difluoromethyl)-2,4,6-trifluoropyridine
SMILESFc1cc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C6H2F5N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H
InChIKeyBAHNXALPIMWCNA-UHFFFAOYSA-N
MW183.08 g/mol
LogP2.44
Rot. Bonds1

About 3-(difluoromethyl)-2,4,6-trifluoropyridine

3-(difluoromethyl)-2,4,6-trifluoropyridine (PubChem CID 130088806) has the molecular formula C6H2F5N and a molecular weight of 183.08 g/mol. Its IUPAC name is 3-(difluoromethyl)-2,4,6-trifluoropyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2,4,6-trifluoropyridine
PubChem CID130088806
Molecular FormulaC6H2F5N
Molecular Weight183.08 g/mol
Exact Mass183.01
IUPAC Name3-(difluoromethyl)-2,4,6-trifluoropyridine
SMILESFc1cc(F)c(C(F)F)c(F)n1
InChIInChI=1S/C6H2F5N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H
InChIKeyBAHNXALPIMWCNA-UHFFFAOYSA-N
XLogP2.44
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.08
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(difluoromethyl)-2,4,6-trifluoropyridine 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

4-bromo-3-(difluoromethyl)-2,6-difluoropyridine
CID 118806244
3-(difluoromethyl)-2,4-difluoro-6-methoxypyridine
CID 130099661
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
CID 118823505
3-(difluoromethyl)-4,6-difluoro-2-nitropyridine
CID 118800101
2-(difluoromethyl)-4,6-difluoro-3-methylpyridine
CID 118851823
3-(difluoromethyl)-2-fluoro-4,6-diiodopyridine
CID 130100478
2-(difluoromethyl)-4,6-difluoro-3-iodopyridine
CID 118846195
2,4-dibromo-3-(difluoromethyl)-6-fluoropyridine
CID 118998950
4-chloro-3-(difluoromethyl)-6-fluoropyridin-2-amine
CID 119006404
6-bromo-3-(difluoromethyl)-4-fluoro-2-methylpyridine
CID 130109381
3-(difluoromethyl)-2-fluoro-4-iodo-6-methylpyridine
CID 130079897
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2,4,6-trifluoropyridine?
The IUPAC name of 3-(difluoromethyl)-2,4,6-trifluoropyridine (CID 130088806) is 3-(difluoromethyl)-2,4,6-trifluoropyridine.
What is the SMILES notation for 3-(difluoromethyl)-2,4,6-trifluoropyridine?
The canonical SMILES for 3-(difluoromethyl)-2,4,6-trifluoropyridine is Fc1cc(F)c(C(F)F)c(F)n1.
What is the InChIKey of 3-(difluoromethyl)-2,4,6-trifluoropyridine?
The InChIKey is BAHNXALPIMWCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F5N/c7-2-1-3(8)12-6(11)4(2)5(9)10/h1,5H.
What are the key properties of 3-(difluoromethyl)-2,4,6-trifluoropyridine?
3-(difluoromethyl)-2,4,6-trifluoropyridine has a molecular weight of 183.08 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2,4,6-trifluoropyridine is sourced from PubChem (CID 130088806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).