4-hydroxy-2-methyl-3-nitrobenzamide

C8H8N2O4 — CID 20981195

IUPAC4-hydroxy-2-methyl-3-nitrobenzamide
SMILESCc1c(C(N)=O)ccc(O)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-4-5(8(9)12)2-3-6(11)7(4)10(13)14/h2-3,11H,1H3,(H2,9,12)
InChIKeyRQAHWVCBZZYPFO-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.71
Rot. Bonds2

About 4-hydroxy-2-methyl-3-nitrobenzamide

4-hydroxy-2-methyl-3-nitrobenzamide (PubChem CID 20981195) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name4-hydroxy-2-methyl-3-nitrobenzamide
PubChem CID20981195
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name4-hydroxy-2-methyl-3-nitrobenzamide
SMILESCc1c(C(N)=O)ccc(O)c1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-4-5(8(9)12)2-3-6(11)7(4)10(13)14/h2-3,11H,1H3,(H2,9,12)
InChIKeyRQAHWVCBZZYPFO-UHFFFAOYSA-N
XLogP0.71
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.71
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'}

Analyze 4-hydroxy-2-methyl-3-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

methyl 4-hydroxy-2-methyl-3-nitrobenzoate
CID 141461433
4-fluoro-3-methyl-2-nitrobenzamide
CID 131120224
4-ethynyl-2,5-dimethyl-3-nitrobenzamide
CID 174758937
2,5-difluoro-4-methyl-3-nitrobenzamide
CID 169268617
2,2,2-trifluoro-N-(4-hydroxy-2-methyl-3-nitrophenyl)acetamide
CID 15480130
methyl 2-bromo-4-hydroxy-3-nitrobenzoate
CID 169449296
4-fluoro-2-methyl-3-nitrobenzoyl chloride
CID 131056028
3-bromo-5-methyl-2-nitrobenzamide
CID 130924275
2-(2,4,5-trimethyl-3-nitrophenyl)benzamide
CID 175308827
N,2,4-trimethyl-3-nitrobenzamide
CID 168944532
lead(2+);2-nitrobenzene-1,3-diol
CID 21125062
2-bromo-1-(4-fluoro-2-methyl-3-nitrophenyl)ethanone
CID 118799232

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-3-nitrobenzamide?
The IUPAC name of 4-hydroxy-2-methyl-3-nitrobenzamide (CID 20981195) is 4-hydroxy-2-methyl-3-nitrobenzamide.
What is the SMILES notation for 4-hydroxy-2-methyl-3-nitrobenzamide?
The canonical SMILES for 4-hydroxy-2-methyl-3-nitrobenzamide is Cc1c(C(N)=O)ccc(O)c1[N+](=O)[O-].
What is the InChIKey of 4-hydroxy-2-methyl-3-nitrobenzamide?
The InChIKey is RQAHWVCBZZYPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-4-5(8(9)12)2-3-6(11)7(4)10(13)14/h2-3,11H,1H3,(H2,9,12).
What are the key properties of 4-hydroxy-2-methyl-3-nitrobenzamide?
4-hydroxy-2-methyl-3-nitrobenzamide has a molecular weight of 196.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 20981195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).