4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid

C9H6F5NO3 — CID 118818363

IUPAC4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1c(C(F)F)cc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-5-3(7(10)11)2-4(8(16)17)15-6(5)9(12,13)14/h2,7H,1H3,(H,16,17)
InChIKeyPXGOYIIKJFCIDD-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds3

About 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid

4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 118818363) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID118818363
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCOc1c(C(F)F)cc(C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C9H6F5NO3/c1-18-5-3(7(10)11)2-4(8(16)17)15-6(5)9(12,13)14/h2,7H,1H3,(H,16,17)
InChIKeyPXGOYIIKJFCIDD-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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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 118818363) is 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid is COc1c(C(F)F)cc(C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is PXGOYIIKJFCIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-18-5-3(7(10)11)2-4(8(16)17)15-6(5)9(12,13)14/h2,7H,1H3,(H,16,17).
What are the key properties of 4-(difluoromethyl)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid?
4-(difluoromethyl)-5-methoxy-6-(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)-5-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118818363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).