2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide

C6H4ClFN2O2 — CID 165124030

IUPAC2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(=O)[nH]c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-2(5(9)11)1-3(8)6(12)10-4/h1H,(H2,9,11)(H,10,12)
InChIKeyIGGLWFGZUIJYGH-UHFFFAOYSA-N
MW190.56 g/mol
LogP0.27
Rot. Bonds1

About 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide

2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 165124030) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID165124030
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC Name2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(=O)[nH]c1Cl
InChIInChI=1S/C6H4ClFN2O2/c7-4-2(5(9)11)1-3(8)6(12)10-4/h1H,(H2,9,11)(H,10,12)
InChIKeyIGGLWFGZUIJYGH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide (CID 165124030) is 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is NC(=O)c1cc(F)c(=O)[nH]c1Cl.
What is the InChIKey of 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is IGGLWFGZUIJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-4-2(5(9)11)1-3(8)6(12)10-4/h1H,(H2,9,11)(H,10,12).
What are the key properties of 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide?
2-chloro-5-fluoro-6-oxo-1H-pyridine-3-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 2-chloro-5-fluoro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 165124030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).