2-hydroxy-3-methyl-5-nitrobenzoic acid

C8H7NO5 — CID 12571275

IUPAC2-hydroxy-3-methyl-5-nitrobenzoic acid
SMILESCc1cc([N+](=O)[O-])cc(C(=O)O)c1O
InChIInChI=1S/C8H7NO5/c1-4-2-5(9(13)14)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyJNZXWLAEKYYPHA-UHFFFAOYSA-N
MW197.15 g/mol
LogP1.31
Rot. Bonds2

About 2-hydroxy-3-methyl-5-nitrobenzoic acid

2-hydroxy-3-methyl-5-nitrobenzoic acid (PubChem CID 12571275) has the molecular formula C8H7NO5 and a molecular weight of 197.15 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-5-nitrobenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-methyl-5-nitrobenzoic acid
PubChem CID12571275
Molecular FormulaC8H7NO5
Molecular Weight197.15 g/mol
Exact Mass197.03
IUPAC Name2-hydroxy-3-methyl-5-nitrobenzoic acid
SMILESCc1cc([N+](=O)[O-])cc(C(=O)O)c1O
InChIInChI=1S/C8H7NO5/c1-4-2-5(9(13)14)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12)
InChIKeyJNZXWLAEKYYPHA-UHFFFAOYSA-N
XLogP1.31
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 51.31
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

3-methyl-5-nitrophthalic acid
CID 18429286
2-hydroxy-3,5-dinitrobenzoic acid
CID 11873
2-fluoro-3-methyl-5-nitrobenzoic acid
CID 80701808
2,6-dimethyl-4-nitrophenol;ethane;methane
CID 143297334
5-[(3-carboxy-4-hydroxy-5-methylphenyl)-(4-nitrophenyl)methyl]-2-hydroxy-3-methylbenzoic acid
CID 70531085
3-formyl-2-hydroxy-5-nitrobenzoic acid
CID 23423382
3-carbamoyl-2-methyl-5-nitrobenzoic acid
CID 66586686
2-ethyl-5-nitrobenzene-1,3-dicarboxylic acid
CID 154119897
sodium;hydride;2-methyl-4,6-dinitrophenol
CID 173366474
3-methyl-5-nitro-2-propoxybenzoic acid
CID 100583197
2,3-dimethyl-7-nitroquinoxaline-5-carboxylic acid
CID 46707913
2-hydroxy-3-methyl-5-nitrobenzonitrile
CID 21255657

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-5-nitrobenzoic acid?
The IUPAC name of 2-hydroxy-3-methyl-5-nitrobenzoic acid (CID 12571275) is 2-hydroxy-3-methyl-5-nitrobenzoic acid.
What is the SMILES notation for 2-hydroxy-3-methyl-5-nitrobenzoic acid?
The canonical SMILES for 2-hydroxy-3-methyl-5-nitrobenzoic acid is Cc1cc([N+](=O)[O-])cc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-5-nitrobenzoic acid?
The InChIKey is JNZXWLAEKYYPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO5/c1-4-2-5(9(13)14)3-6(7(4)10)8(11)12/h2-3,10H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-3-methyl-5-nitrobenzoic acid?
2-hydroxy-3-methyl-5-nitrobenzoic acid has a molecular weight of 197.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-5-nitrobenzoic acid is sourced from PubChem (CID 12571275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).