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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Related Compounds

3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylic acid
CID 130104925
6-(difluoromethyl)-3-iodo-4-oxo-1H-pyridine-2-carboxylic acid
CID 130082854
methyl 6-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylate
CID 133103363
3-chloro-6-(difluoromethyl)-2-methoxy-1H-pyridin-4-one
CID 130072304
ethyl 3-amino-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 133093415
6,8-dibromo-2-(difluoromethyl)-5-methoxy-1H-quinolin-4-one
CID 103416536
4-amino-6-(difluoromethyl)-3-methoxy-1H-pyridin-2-one
CID 118812209
4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212
1-[5-(difluoromethyl)-3-methyl-1H-pyrrol-2-yl]ethanone
CID 84654571
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 130083953
methyl 3-cyano-6-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130076967

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).