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

C7H4ClF2NO3 — CID 130072677

IUPAC5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-2-1-11-6(12)4(7(13)14)3(2)5(9)10/h1,5H,(H,11,12)(H,13,14)
InChIKeyGVRDDCGQPMRQEV-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.66
Rot. Bonds2

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

5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 130072677) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID130072677
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C7H4ClF2NO3/c8-2-1-11-6(12)4(7(13)14)3(2)5(9)10/h1,5H,(H,11,12)(H,13,14)
InChIKeyGVRDDCGQPMRQEV-UHFFFAOYSA-N
XLogP1.66
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.56
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
4-bromo-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 118839882
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 130072642
3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 130072819
5-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074385
6-chloro-2-(difluoromethyl)-3-methylbenzoic acid
CID 155821945
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 130072677) is 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c(C(F)F)c(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is GVRDDCGQPMRQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-2-1-11-6(12)4(7(13)14)3(2)5(9)10/h1,5H,(H,11,12)(H,13,14).
What are the key properties of 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid?
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 223.56 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 130072677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).