3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide

C13H11N3O4 — CID 107076246

IUPAC3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1
InChIInChI=1S/C13H11N3O4/c1-8-2-4-10(7-14-8)15-13(18)9-3-5-11(16(19)20)12(17)6-9/h2-7,17H,1H3,(H,15,18)
InChIKeyVVDGPTXAOFCZDA-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds3

About 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide

3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide (PubChem CID 107076246) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
PubChem CID107076246
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
SMILESCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1
InChIInChI=1S/C13H11N3O4/c1-8-2-4-10(7-14-8)15-13(18)9-3-5-11(16(19)20)12(17)6-9/h2-7,17H,1H3,(H,15,18)
InChIKeyVVDGPTXAOFCZDA-UHFFFAOYSA-N
XLogP2.26
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
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

3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476
4-bromo-3-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 103957612
3-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)-4-nitrobenzamide
CID 37018543
2,5-difluoro-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide
CID 104699464
N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
2-amino-6-fluoro-N-(6-methyl-3-pyridinyl)-3-nitrobenzamide
CID 107123277
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
3-hydroxy-N-(3-methyl-1,2,4-thiadiazol-5-yl)-4-nitrobenzamide
CID 103712002
3-chloro-N-(6-methoxy-3-pyridinyl)-4-nitrobenzamide
CID 82776170
4-iodo-N-(6-methyl-3-pyridinyl)benzamide
CID 59706920
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469
N-(2-bromo-4-methylphenyl)-3-hydroxy-4-nitrobenzamide
CID 102740461

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The IUPAC name of 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide (CID 107076246) is 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide.
What is the SMILES notation for 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The canonical SMILES for 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide is Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)cn1.
What is the InChIKey of 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
The InChIKey is VVDGPTXAOFCZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-8-2-4-10(7-14-8)15-13(18)9-3-5-11(16(19)20)12(17)6-9/h2-7,17H,1H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide?
3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(6-methyl-3-pyridinyl)-4-nitrobenzamide is sourced from PubChem (CID 107076246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).