4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid

C9H6F5NO3 — CID 118834996

IUPAC4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H6F5NO3/c1-18-4-2-3(7(10)11)5(9(12,13)14)6(15-4)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyBCHNESHQFSKHGK-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds3

About 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid

4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118834996) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118834996
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1cc(C(F)F)c(C(F)(F)F)c(C(=O)O)n1
InChIInChI=1S/C9H6F5NO3/c1-18-4-2-3(7(10)11)5(9(12,13)14)6(15-4)8(16)17/h2,7H,1H3,(H,16,17)
InChIKeyBCHNESHQFSKHGK-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-6-methyl-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118840954
6-methoxy-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134676940
methyl 2-[4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133099465
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118835181
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carboxamide
CID 118840796
4-(difluoromethyl)-3-hydroxy-6-methoxypyridine-2-carboxamide
CID 118829275
4-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118828873
4-(difluoromethyl)-6-methyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118846473
4-(difluoromethyl)-3-fluoro-6-methoxy-2-(trifluoromethyl)pyridine
CID 118840685
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
methyl 3-cyano-4-(difluoromethyl)-6-methoxypyridine-2-carboxylate
CID 134676477
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118834996) is 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid is COc1cc(C(F)F)c(C(F)(F)F)c(C(=O)O)n1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BCHNESHQFSKHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-4-2-3(7(10)11)5(9(12,13)14)6(15-4)8(16)17/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 271.14 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118834996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).