N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

C12H9ClN2O3 — CID 64787521

IUPACN-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c13-9-6-7(3-4-10(9)16)15-12(18)8-2-1-5-14-11(8)17/h1-6,16H,(H,14,17)(H,15,18)
InChIKeyQZAXCRYDMRIYQU-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.99
Rot. Bonds2

About N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 64787521) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID64787521
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)c1ccc[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c13-9-6-7(3-4-10(9)16)15-12(18)8-2-1-5-14-11(8)17/h1-6,16H,(H,14,17)(H,15,18)
InChIKeyQZAXCRYDMRIYQU-UHFFFAOYSA-N
XLogP1.99
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-(3,5-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692745
N-(3-bromo-4-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114262173
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
N-(4-bromo-3-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65436030
N-(4-bromo-3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114259349
2-chloro-N-(3-chloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 79039798
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(4-methylsulfanylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 42371486
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738
N-(6-chloro-5-methyl-3-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 113253464

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 64787521) is N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)c1ccc[nH]c1=O.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QZAXCRYDMRIYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c13-9-6-7(3-4-10(9)16)15-12(18)8-2-1-5-14-11(8)17/h1-6,16H,(H,14,17)(H,15,18).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 64787521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).