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

C8H7F2NO4 — CID 118829699

IUPAC4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7F2NO4/c1-15-7-5(8(13)14)3(6(9)10)2-4(12)11-7/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyBURMMERCCOLQMV-UHFFFAOYSA-N
MW219.14 g/mol
LogP1.02
Rot. Bonds3

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

4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118829699) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID118829699
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCOc1[nH]c(=O)cc(C(F)F)c1C(=O)O
InChIInChI=1S/C8H7F2NO4/c1-15-7-5(8(13)14)3(6(9)10)2-4(12)11-7/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyBURMMERCCOLQMV-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 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid (CID 118829699) is 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid is COc1[nH]c(=O)cc(C(F)F)c1C(=O)O.
What is the InChIKey of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is BURMMERCCOLQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-7-5(8(13)14)3(6(9)10)2-4(12)11-7/h2,6H,1H3,(H,11,12)(H,13,14).
What are the key properties of 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid?
4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-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 4-(difluoromethyl)-2-methoxy-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118829699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).