N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide

C12H8ClN3O4 — CID 103604547

IUPACN-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C12H8ClN3O4/c13-8-2-4-11(14-6-8)15-12(18)7-1-3-9(16(19)20)10(17)5-7/h1-6,17H,(H,14,15,18)
InChIKeyPSOKBJLLVQNOAU-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.60
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide

N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide (PubChem CID 103604547) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
PubChem CID103604547
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC NameN-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c(O)c1
InChIInChI=1S/C12H8ClN3O4/c13-8-2-4-11(14-6-8)15-12(18)7-1-3-9(16(19)20)10(17)5-7/h1-6,17H,(H,14,15,18)
InChIKeyPSOKBJLLVQNOAU-UHFFFAOYSA-N
XLogP2.60
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.67
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 107076246
5-chloro-N-(5-chloropyrazin-2-yl)-2-nitrobenzamide
CID 107595832
3-chloro-4-nitro-N-pyrazin-2-ylbenzamide
CID 82781781
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103746875
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 2602552
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
N-(5-chloro-2-pyridinyl)-2-hydroxy-5-methylbenzamide
CID 28831587

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide (CID 103604547) is N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide is O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])c(O)c1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide?
The InChIKey is PSOKBJLLVQNOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-8-2-4-11(14-6-8)15-12(18)7-1-3-9(16(19)20)10(17)5-7/h1-6,17H,(H,14,15,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide?
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide has a molecular weight of 293.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide is sourced from PubChem (CID 103604547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).