3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide

C6H4ClFN2O2 — CID 89449841

IUPAC3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1c(F)c[nH]c(=O)c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(5(9)11)2(8)1-10-6(4)12/h1H,(H2,9,11)(H,10,12)
InChIKeyHUHDPBNKGXCVBR-UHFFFAOYSA-N
MW190.56 g/mol
LogP0.27
Rot. Bonds1

About 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide

3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 89449841) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
PubChem CID89449841
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide
SMILESNC(=O)c1c(F)c[nH]c(=O)c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-3(5(9)11)2(8)1-10-6(4)12/h1H,(H2,9,11)(H,10,12)
InChIKeyHUHDPBNKGXCVBR-UHFFFAOYSA-N
XLogP0.27
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Dichloro-4-(trifluoromethyl)pyridin-2-ol
CID 13851616
4-chloro-5-fluoro-3-methyl-1H-pyridin-2-one
CID 19791179
2-Hydroxy-3-chloro-4-methyl-5-trifluoromethylpyridine
CID 69883431
3,5-difluoro-2-oxo-1H-pyridine-4-carboxamide
CID 70089707
3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449842
5-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449843
5-chloro-3-fluoro-2-oxo-1H-pyridine-4-carboxamide
CID 89449844
5-chloro-3-fluoro-4-methyl-1H-pyridin-2-one
CID 150147770
4-(Aminomethyl)-3-chloro-5-(difluoromethyl)pyridin-2-ol
CID 118835539
3-chloro-4-(difluoromethyl)-5-fluoro-1H-pyridin-2-one
CID 130071521
4-(aminomethyl)-5-chloro-3-(difluoromethyl)-1H-pyridin-2-one
CID 130072413
5-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 130072941

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide (CID 89449841) is 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide is NC(=O)c1c(F)c[nH]c(=O)c1Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is HUHDPBNKGXCVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-4-3(5(9)11)2(8)1-10-6(4)12/h1H,(H2,9,11)(H,10,12).
What are the key properties of 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide?
3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 190.56 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 89449841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).