2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid

C9H6F5NO3 — CID 118803490

IUPAC2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCc1cc(OC(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-3-2-4(18-9(12,13)14)15-6(7(10)11)5(3)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyPVUAPGJIUPPYBL-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.92
Rot. Bonds3

About 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid

2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid (PubChem CID 118803490) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
PubChem CID118803490
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
SMILESCc1cc(OC(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-3-2-4(18-9(12,13)14)15-6(7(10)11)5(3)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyPVUAPGJIUPPYBL-UHFFFAOYSA-N
XLogP2.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)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

methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
2-(difluoromethyl)-4-methyl-3-nitro-6-(trifluoromethoxy)pyridine
CID 118837547
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
3-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134665192
2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
2-(difluoromethyl)-4-methyl-6-nitropyridine-3-carboxylic acid
CID 118820433
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
2-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridin-3-ol
CID 118799496
3-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridin-2-amine
CID 118996985
ethyl 2-[4-(chloromethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134663450
4-bromo-2-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 118845193

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid (CID 118803490) is 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid is Cc1cc(OC(F)(F)F)nc(C(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
The InChIKey is PVUAPGJIUPPYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-3-2-4(18-9(12,13)14)15-6(7(10)11)5(3)8(16)17/h2,7H,1H3,(H,16,17).
What are the key properties of 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid?
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid has a molecular weight of 271.14 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid is sourced from PubChem (CID 118803490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).