4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

C9H6F5NO2 — CID 118829655

IUPAC4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(C(F)(F)F)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-5(7(10)11)4(8(16)17)2-15-6(3)9(12,13)14/h2,7H,1H3,(H,16,17)
InChIKeyIMSIYGOIVKEWJK-UHFFFAOYSA-N
MW255.14 g/mol
LogP3.04
Rot. Bonds2

About 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118829655) has the molecular formula C9H6F5NO2 and a molecular weight of 255.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118829655
Molecular FormulaC9H6F5NO2
Molecular Weight255.14 g/mol
Exact Mass255.03
IUPAC Name4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(C(F)(F)F)ncc(C(=O)O)c1C(F)F
InChIInChI=1S/C9H6F5NO2/c1-3-5(7(10)11)4(8(16)17)2-15-6(3)9(12,13)14/h2,7H,1H3,(H,16,17)
InChIKeyIMSIYGOIVKEWJK-UHFFFAOYSA-N
XLogP3.04
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid 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-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
3-methyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 90460143
4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
CID 67931571
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133101747
4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118852185
4-(difluoromethyl)-5-methyl-3-nitro-2-(trifluoromethyl)pyridine
CID 118852057
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118829655) is 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1c(C(F)(F)F)ncc(C(=O)O)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is IMSIYGOIVKEWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO2/c1-3-5(7(10)11)4(8(16)17)2-15-6(3)9(12,13)14/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 255.14 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118829655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).