2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine

C8H6F5N — CID 130097653

IUPAC2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)F)ncc1C(F)(F)F
InChIInChI=1S/C8H6F5N/c1-4-2-6(7(9)10)14-3-5(4)8(11,12)13/h2-3,7H,1H3
InChIKeyXVAKTDOFLAAGBW-UHFFFAOYSA-N
MW211.13 g/mol
LogP3.35
Rot. Bonds1

About 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine

2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine (PubChem CID 130097653) has the molecular formula C8H6F5N and a molecular weight of 211.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
PubChem CID130097653
Molecular FormulaC8H6F5N
Molecular Weight211.13 g/mol
Exact Mass211.04
IUPAC Name2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine
SMILESCc1cc(C(F)F)ncc1C(F)(F)F
InChIInChI=1S/C8H6F5N/c1-4-2-6(7(9)10)14-3-5(4)8(11,12)13/h2-3,7H,1H3
InChIKeyXVAKTDOFLAAGBW-UHFFFAOYSA-N
XLogP3.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.13
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(difluoromethyl)-4-methyl-5-(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

Related Compounds

2-(difluoromethyl)-5-ethyl-4-methylpyridine
CID 176699020
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-3-carboxylate
CID 134658831
1-(4,5-dimethyl-2-pyridinyl)-2,2,2-trifluoroethanol
CID 166123454
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
3-chloro-6-(difluoromethyl)-2-methyl-4-(trifluoromethyl)pyridine
CID 134672175
3-chloro-4-(difluoromethyl)-2-methyl-5-(trifluoromethyl)pyridine
CID 134674506
3-(difluoromethyl)-4-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 130086106
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
2-(difluoromethyl)-3-methyl-4-nitro-5-(trifluoromethyl)pyridine
CID 118809015
2-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 130094479

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine (CID 130097653) is 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine is Cc1cc(C(F)F)ncc1C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine?
The InChIKey is XVAKTDOFLAAGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F5N/c1-4-2-6(7(9)10)14-3-5(4)8(11,12)13/h2-3,7H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine?
2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine has a molecular weight of 211.13 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 130097653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).