2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide

C12H8ClN3O4 — CID 75520228

IUPAC2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
SMILESO=C(Nc1ncccc1O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O4/c13-7-3-1-4-8(16(19)20)10(7)12(18)15-11-9(17)5-2-6-14-11/h1-6,17H,(H,14,15,18)
InChIKeyMEXIZWNUEQYFQY-UHFFFAOYSA-N
MW293.67 g/mol
LogP2.60
Rot. Bonds3

About 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide

2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide (PubChem CID 75520228) has the molecular formula C12H8ClN3O4 and a molecular weight of 293.67 g/mol. Its IUPAC name is 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
PubChem CID75520228
Molecular FormulaC12H8ClN3O4
Molecular Weight293.67 g/mol
Exact Mass293.02
IUPAC Name2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide
SMILESO=C(Nc1ncccc1O)c1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H8ClN3O4/c13-7-3-1-4-8(16(19)20)10(7)12(18)15-11-9(17)5-2-6-14-11/h1-6,17H,(H,14,15,18)
InChIKeyMEXIZWNUEQYFQY-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'}

Analyze 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-2-pyridinyl)-2-nitrobenzamide
CID 113347276
2-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-6-nitrobenzamide
CID 103730390
N-(3-chloro-2-pyridinyl)-4-fluoro-2-nitrobenzamide
CID 103943386
2-chloro-N-(2,6-dimethyl-3-pyridinyl)-6-nitrobenzamide
CID 122150973
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469
2-chloro-N-(6-chloro-3-nitro-2-pyridinyl)-6-fluorobenzamide
CID 104820349
N-(3-chloro-2-pyridinyl)-4,5-difluoro-2-nitrobenzamide
CID 103943536
2-chloro-N-(4-methyl-1H-pyrazol-5-yl)-6-nitrobenzamide
CID 112691406
2-chloro-6-nitrobenzoic acid
CID 170923318
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486
1-(2-chloro-6-nitrophenyl)-2-methylpropan-1-one
CID 146654141

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide?
The IUPAC name of 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide (CID 75520228) is 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide is O=C(Nc1ncccc1O)c1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide?
The InChIKey is MEXIZWNUEQYFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O4/c13-7-3-1-4-8(16(19)20)10(7)12(18)15-11-9(17)5-2-6-14-11/h1-6,17H,(H,14,15,18).
What are the key properties of 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide?
2-chloro-N-(3-hydroxy-2-pyridinyl)-6-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 2-chloro-N-(3-hydroxy-2-pyridinyl)-6-nitrobenzamide is sourced from PubChem (CID 75520228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).