2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid

C9H6F5NO3 — CID 118854325

IUPAC2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1c(C(F)F)ncc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-3-5(8(16)17)4(18-9(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyKSFQXLHKYQKJHA-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.92
Rot. Bonds3

About 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid

2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 118854325) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID118854325
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESCc1c(C(F)F)ncc(OC(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H6F5NO3/c1-3-5(8(16)17)4(18-9(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17)
InChIKeyKSFQXLHKYQKJHA-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

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Related Compounds

2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
2-(difluoromethyl)-4-fluoro-3-methyl-5-(trifluoromethoxy)pyridine
CID 118826226
ethyl 2-(difluoromethyl)-3-hydroxy-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 134677712
5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
CID 130106575
2-(difluoromethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118842969
2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119017878
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296
5-(aminomethyl)-2-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134668983
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
6-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118814694
2-(difluoromethyl)-4-methyl-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803490

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 118854325) is 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid is Cc1c(C(F)F)ncc(OC(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is KSFQXLHKYQKJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-3-5(8(16)17)4(18-9(12,13)14)2-15-6(3)7(10)11/h2,7H,1H3,(H,16,17).
What are the key properties of 2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-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)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 118854325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).