3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid

C6H4FNO3 — CID 112692760

IUPAC3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1F
InChIInChI=1S/C6H4FNO3/c7-4-3(6(10)11)1-2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
InChIKeyGYWSLPIPIXJHCK-UHFFFAOYSA-N
MW157.10 g/mol
LogP0.21
Rot. Bonds1

About 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid

3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid (PubChem CID 112692760) has the molecular formula C6H4FNO3 and a molecular weight of 157.10 g/mol. Its IUPAC name is 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid
PubChem CID112692760
Molecular FormulaC6H4FNO3
Molecular Weight157.10 g/mol
Exact Mass157.02
IUPAC Name3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid
SMILESO=C(O)c1cc[nH]c(=O)c1F
InChIInChI=1S/C6H4FNO3/c7-4-3(6(10)11)1-2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
InChIKeyGYWSLPIPIXJHCK-UHFFFAOYSA-N
XLogP0.21
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.10
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxyisonicotinic Acid
CID 280756
2-Hydroxyisonicotinate
CID 15944657
1-(Difluoromethyl)-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 97619175
5-Fluoro-6-hydroxypyridine-3-carboxylic acid
CID 66524957
2-Hydroxy-4-(trifluoromethyl)nicotinic acid
CID 2727097
3-Bromo-2-hydroxypyridine-4-carboxylic acid
CID 86767901
5-Fluoro-2-hydroxypyridine-4-carboxylic acid
CID 105430590
2-Dihydroisonicotinic acid
CID 422222
3-Hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylic acid
CID 54686049
2-oxo-1H-pyridine-3,4-dicarboxylic acid
CID 82407435
2-amino-2-fluoro-1H-pyridine-4-carboxylic acid
CID 67702250
4-Fluoro-2-hydroxynicotinic acid
CID 70438341

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid (CID 112692760) is 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid is O=C(O)c1cc[nH]c(=O)c1F.
What is the InChIKey of 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid?
The InChIKey is GYWSLPIPIXJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO3/c7-4-3(6(10)11)1-2-8-5(4)9/h1-2H,(H,8,9)(H,10,11).
What are the key properties of 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid?
3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid has a molecular weight of 157.10 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-oxo-1H-pyridine-4-carboxylic acid is sourced from PubChem (CID 112692760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).