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

C8H7F2NO4 — CID 130083499

IUPAC5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c1-15-5-4(8(13)14)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyHCSKUSMPICMPLN-UHFFFAOYSA-N
MW219.14 g/mol
LogP1.02
Rot. Bonds3

About 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid

5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 130083499) has the molecular formula C8H7F2NO4 and a molecular weight of 219.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID130083499
Molecular FormulaC8H7F2NO4
Molecular Weight219.14 g/mol
Exact Mass219.03
IUPAC Name5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid
SMILESCOc1c(C(=O)O)c(C(F)F)c[nH]c1=O
InChIInChI=1S/C8H7F2NO4/c1-15-5-4(8(13)14)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)(H,13,14)
InChIKeyHCSKUSMPICMPLN-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

Analyze 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxy-5-methoxypyridine-3-carboxylic acid
CID 46737849
1-(Difluoromethyl)-5-methoxy-6-oxopyridine-3-carboxylic acid
CID 21885861
4-(Difluoromethyl)-6-hydroxy-5-methoxynicotinic acid
CID 69704433
2-(4-(Difluoromethyl)-6-hydroxy-5-methoxypyridin-3-yl)acetic acid
CID 118812456
4-(Difluoromethyl)-5-(hydroxymethyl)-3-(trifluoromethoxy)pyridin-2-ol
CID 118812576
2-(4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethoxy)pyridin-3-yl)acetic acid
CID 118817565
4-(Difluoromethyl)-5-(hydroxymethyl)-3-methoxypyridin-2-ol
CID 118818107
4-(Difluoromethyl)-6-hydroxy-5-(trifluoromethoxy)nicotinic acid
CID 118823721
2-[4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 118846671
4-(Difluoromethyl)-5,6-dihydroxynicotinic acid
CID 118846844
4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118851482
5-(difluoromethyl)-4-(hydroxymethyl)-3-methoxy-1H-pyridin-2-one
CID 130083431

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid (CID 130083499) is 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid is COc1c(C(=O)O)c(C(F)F)c[nH]c1=O.
What is the InChIKey of 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is HCSKUSMPICMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO4/c1-15-5-4(8(13)14)3(6(9)10)2-11-7(5)12/h2,6H,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid?
5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-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 5-(difluoromethyl)-3-methoxy-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 130083499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).