N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide

C12H8ClN3O4 — CID 104820312

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C12H8ClN3O4/c13-10-6-5-9(16(19)20)11(14-10)15-12(18)7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,18)
InChIKeyLWFZIUOLSWFEJA-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.60
Rot. Bonds3

About N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide

N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide (PubChem CID 104820312) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
PubChem CID104820312
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
SMILESO=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(O)cc1
InChIInChI=1S/C12H8ClN3O4/c13-10-6-5-9(16(19)20)11(14-10)15-12(18)7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,18)
InChIKeyLWFZIUOLSWFEJA-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-3-nitro-2-pyridinyl)-3,5-dimethylbenzamide
CID 115576070
3-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-4-fluorobenzamide
CID 104820375
N-(6-chloro-3-nitro-2-pyridinyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 104820409
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)pyrazine-2-carboxamide
CID 104820251
N-(6-chloro-3-nitro-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104820299
5-bromo-2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)benzamide
CID 104820206
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(6-chloro-3-nitro-2-pyridinyl)-1,5-dimethylpyrrole-2-carboxamide
CID 104820470
N-(6-chloro-3-nitro-2-pyridinyl)-2,5-dimethylbenzamide
CID 104820207
4-[(6-chloro-3-nitro-2-pyridinyl)amino]benzoic acid
CID 70689067

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide (CID 104820312) is N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide is O=C(Nc1nc(Cl)ccc1[N+](=O)[O-])c1ccc(O)cc1.
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide?
The InChIKey is LWFZIUOLSWFEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-10-6-5-9(16(19)20)11(14-10)15-12(18)7-1-3-8(17)4-2-7/h1-6,17H,(H,14,15,18).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide?
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide 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-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide is sourced from PubChem (CID 104820312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).