N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide

C12H9ClN2O2 — CID 837857

IUPACN-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C12H9ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-7,16H,(H,15,17)
InChIKeyTWGCEOBLAMDJHZ-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.69
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide

N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide (PubChem CID 837857) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
PubChem CID837857
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC NameN-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)c1ccncc1
InChIInChI=1S/C12H9ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-7,16H,(H,15,17)
InChIKeyTWGCEOBLAMDJHZ-UHFFFAOYSA-N
XLogP2.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 767774
5-chloro-N-(3-chloropyridin-4-yl)-2-hydroxybenzamide
CID 46836254
N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]benzamide
CID 25218549
N-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-4-carboxamide
CID 44399045
N-(5-chloro-2-hydroxyphenyl)-2-(2-methylpropylsulfanyl)pyridine-4-carboxamide
CID 44532966
N-(2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155534404
N-(4-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155539630
N-(5-chloro-2-hydroxyphenyl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide
CID 155567685
6-Chloro-N-(2-hydroxy-phenyl)-1-oxy-nicotinamide
CID 21878262
N-[(E)-(5-chloro-2-hydroxy-anilino)methyleneamino]pyridine-4-carboxamide
CID 56649647
N-[(E)-(4-chloro-2-hydroxy-anilino)methyleneamino]pyridine-4-carboxamide
CID 56934034
5-chloro-2-hydroxy-N-(pyridin-4-yl)benzamide
CID 3011446

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide (CID 837857) is N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)ccc1O)c1ccncc1.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
The InChIKey is TWGCEOBLAMDJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-9-1-2-11(16)10(7-9)15-12(17)8-3-5-14-6-4-8/h1-7,16H,(H,15,17).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide?
N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 837857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).