6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid

C8H7F2NO4 — CID 130083473

IUPAC6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H7F2NO4/c1-15-6-4(12)2-3(7(9)10)11-5(6)8(13)14/h2,7H,1H3,(H,11,12)(H,13,14)
InChIKeyHYMIISWGJCDXOZ-UHFFFAOYSA-N
MW219.14 g/mol
LogP1.02
Rot. Bonds3

About 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid

6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 130083473) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
PubChem CID130083473
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
SMILESCOc1c(C(=O)O)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H7F2NO4/c1-15-6-4(12)2-3(7(9)10)11-5(6)8(13)14/h2,7H,1H3,(H,11,12)(H,13,14)
InChIKeyHYMIISWGJCDXOZ-UHFFFAOYSA-N
XLogP1.02
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.14
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid (CID 130083473) is 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid is COc1c(C(=O)O)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is HYMIISWGJCDXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-6-4(12)2-3(7(9)10)11-5(6)8(13)14/h2,7H,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid?
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid has a molecular weight of 219.14 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 130083473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).