4-hydroxy-3-nitrobenzamide

C7H6N2O4 — CID 11849632

IUPAC4-hydroxy-3-nitrobenzamide
SMILESNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O4/c8-7(11)4-1-2-6(10)5(3-4)9(12)13/h1-3,10H,(H2,8,11)
InChIKeyZRSSXZYQEVYUAZ-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.40
Rot. Bonds2

About 4-hydroxy-3-nitrobenzamide

4-hydroxy-3-nitrobenzamide (PubChem CID 11849632) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is 4-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-3-nitrobenzamide
PubChem CID11849632
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name4-hydroxy-3-nitrobenzamide
SMILESNC(=O)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H6N2O4/c8-7(11)4-1-2-6(10)5(3-4)9(12)13/h1-3,10H,(H2,8,11)
InChIKeyZRSSXZYQEVYUAZ-UHFFFAOYSA-N
XLogP0.40
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Benzoic acid, 4-hydroxy-3-nitro-, methyl ester
CID 66835
2-Hydroxy-3-nitrobenzaldehyde
CID 78934
4-Hydroxy-3-nitrobenzaldehyde
CID 18169
4-Hydroxy-3-nitrobenzoic acid
CID 12033
3,5-Dinitro-4-hydroxybenzoic acid
CID 70552
4-Hydroxy-3-Nitroacetophenone
CID 138723
2-Bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
CID 78731
Benzamide, 4-methoxy-3-nitro-
CID 82603
1-(2-Hydroxy-3-nitrophenyl)-ethanone
CID 270026
3-Amino-4-hydroxybenzaldehyde
CID 11521082
3-Amino-4-hydroxybenzohydrazide
CID 585879
2-Hydroxy-5-nitrobenzamide
CID 12325176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-3-nitrobenzamide (CID 11849632) is 4-hydroxy-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-3-nitrobenzamide is NC(=O)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-nitrobenzamide?
The InChIKey is ZRSSXZYQEVYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c8-7(11)4-1-2-6(10)5(3-4)9(12)13/h1-3,10H,(H2,8,11).
What are the key properties of 4-hydroxy-3-nitrobenzamide?
4-hydroxy-3-nitrobenzamide has a molecular weight of 182.14 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 11849632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).