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

C7H4ClF2NO3 — CID 118821921

IUPAC4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(Cl)c1C(F)F
InChIInChI=1S/C7H4ClF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyMJHNYDFJDROBDT-UHFFFAOYSA-N
MW223.56 g/mol
LogP1.66
Rot. Bonds2

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

4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (PubChem CID 118821921) has the molecular formula C7H4ClF2NO3 and a molecular weight of 223.56 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
PubChem CID118821921
Molecular FormulaC7H4ClF2NO3
Molecular Weight223.56 g/mol
Exact Mass222.98
IUPAC Name4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(Cl)c1C(F)F
InChIInChI=1S/C7H4ClF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14)
InChIKeyMJHNYDFJDROBDT-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

4-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130085259
4-chloro-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carbonyl chloride
CID 118810925
2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carboxylic acid
CID 119022040
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
4,5-dichloro-6-(difluoromethyl)-1H-pyridin-2-one
CID 130099225
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 118835212
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonyl chloride
CID 130104992
5-chloro-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130072683
6-(difluoromethyl)-3-iodo-4-oxo-1H-pyridine-2-carboxylic acid
CID 130082854
2-[3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetic acid
CID 130072773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid (CID 118821921) is 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)cc(Cl)c1C(F)F.
What is the InChIKey of 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
The InChIKey is MJHNYDFJDROBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2NO3/c8-2-1-3(12)11-5(7(13)14)4(2)6(9)10/h1,6H,(H,11,12)(H,13,14).
What are the key properties of 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid?
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-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 4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118821921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).