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

C13H11N3O5 — CID 103746259

IUPAC2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)cn1
InChIInChI=1S/C13H11N3O5/c1-21-11-6-5-8(7-14-11)15-13(18)9-3-2-4-10(12(9)17)16(19)20/h2-7,17H,1H3,(H,15,18)
InChIKeyBXOAKZGHTBCHQH-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.96
Rot. Bonds4

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

2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide (PubChem CID 103746259) has the molecular formula C13H11N3O5 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
PubChem CID103746259
Molecular FormulaC13H11N3O5
Molecular Weight289.25 g/mol
Exact Mass289.07
IUPAC Name2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)cn1
InChIInChI=1S/C13H11N3O5/c1-21-11-6-5-8(7-14-11)15-13(18)9-3-2-4-10(12(9)17)16(19)20/h2-7,17H,1H3,(H,15,18)
InChIKeyBXOAKZGHTBCHQH-UHFFFAOYSA-N
XLogP1.96
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(6-bromo-3-pyridinyl)-2-methyl-3-nitrobenzamide
CID 103789431
N-(6-methoxy-3-pyridinyl)-2-phenylmethoxybenzamide
CID 2344191
N-(3,5-dimethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740831
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
2-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 26515816
2-(ethylamino)-N-(6-methoxy-3-pyridinyl)benzamide
CID 62165993
2-hydroxy-3-nitro-N-phenylbenzamide;2-hydroxy-N-phenylbenzamide
CID 157455214
N-(6-methoxy-3-pyridinyl)-5-nitrofuran-2-carboxamide
CID 51143054
2-hydroxy-N-[3-(1-methoxyethyl)phenyl]-3-nitrobenzamide
CID 102560035
N-(3-ethylphenyl)-2-hydroxy-3-nitrobenzamide
CID 102740871
N-[6-(dimethylamino)-3-pyridinyl]-2-nitrobenzamide
CID 46699592
2-hydroxy-3-nitrobenzohydrazide
CID 11367606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide?
The IUPAC name of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide (CID 103746259) is 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide.
What is the SMILES notation for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide?
The canonical SMILES for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2O)cn1.
What is the InChIKey of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide?
The InChIKey is BXOAKZGHTBCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5/c1-21-11-6-5-8(7-14-11)15-13(18)9-3-2-4-10(12(9)17)16(19)20/h2-7,17H,1H3,(H,15,18).
What are the key properties of 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide?
2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide has a molecular weight of 289.25 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(6-methoxy-3-pyridinyl)-3-nitrobenzamide is sourced from PubChem (CID 103746259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).