6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide

C6H5ClN2O3 — CID 119098776

IUPAC6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(O)cc(Cl)[nH]c1=O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-2(10)4(5(8)11)6(12)9-3/h1H,(H2,8,11)(H2,9,10,12)
InChIKeyRCCUKBYWQYPSEQ-UHFFFAOYSA-N
MW188.57 g/mol
LogP-0.17
Rot. Bonds1

About 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide

6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 119098776) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
PubChem CID119098776
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide
SMILESNC(=O)c1c(O)cc(Cl)[nH]c1=O
InChIInChI=1S/C6H5ClN2O3/c7-3-1-2(10)4(5(8)11)6(12)9-3/h1H,(H2,8,11)(H2,9,10,12)
InChIKeyRCCUKBYWQYPSEQ-UHFFFAOYSA-N
XLogP-0.17
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide (CID 119098776) is 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide is NC(=O)c1c(O)cc(Cl)[nH]c1=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RCCUKBYWQYPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-3-1-2(10)4(5(8)11)6(12)9-3/h1H,(H2,8,11)(H2,9,10,12).
What are the key properties of 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide?
6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 188.57 g/mol, XLogP of -0.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 119098776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).