2-hydroxy-4-methoxy-6-nitrobenzoic acid

C8H7NO6 — CID 170739780

IUPAC2-hydroxy-4-methoxy-6-nitrobenzoic acid
SMILESCOc1cc(O)c(C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO6/c1-15-4-2-5(9(13)14)7(8(11)12)6(10)3-4/h2-3,10H,1H3,(H,11,12)
InChIKeyKBHOVYMRSRRXJL-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.01
Rot. Bonds3

About 2-hydroxy-4-methoxy-6-nitrobenzoic acid

2-hydroxy-4-methoxy-6-nitrobenzoic acid (PubChem CID 170739780) has the molecular formula C8H7NO6 and a molecular weight of 213.14 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-6-nitrobenzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-6-nitrobenzoic acid
PubChem CID170739780
Molecular FormulaC8H7NO6
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name2-hydroxy-4-methoxy-6-nitrobenzoic acid
SMILESCOc1cc(O)c(C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H7NO6/c1-15-4-2-5(9(13)14)7(8(11)12)6(10)3-4/h2-3,10H,1H3,(H,11,12)
InChIKeyKBHOVYMRSRRXJL-UHFFFAOYSA-N
XLogP1.01
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.01
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

2,4-dimethoxy-6-nitrobenzoic acid
CID 4913003
2-iodo-4-methoxy-6-nitrobenzamide
CID 171012295
ethane;5-methoxy-2-nitrophenol
CID 143133372
2-(difluoromethoxy)-5-methoxy-3-nitrobenzoic acid
CID 119015385
2-bromo-1-(2-bromo-4-methoxy-6-nitrophenyl)ethanone
CID 171007807
3-(3,5-dimethoxyphenyl)-2-methyl-5-nitropyridine-4-carboxylic acid
CID 139451187
2-(5-methoxy-7-nitro-1-benzofuran-2-yl)acetic acid
CID 82111154
2,6-diamino-4-methoxyphenol;4-methoxy-2,6-dinitrophenol
CID 159513130
2-amino-4-(2-hydroxy-5-methoxy-3-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405883
2-(2-bromo-4-methoxy-6-nitrophenyl)acetic acid
CID 171007604
3,5-dimethoxy-2-nitrophenol
CID 10965507
2-(2-chloro-4-methoxy-6-nitrophenyl)acetic acid
CID 171002728

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-6-nitrobenzoic acid?
The IUPAC name of 2-hydroxy-4-methoxy-6-nitrobenzoic acid (CID 170739780) is 2-hydroxy-4-methoxy-6-nitrobenzoic acid.
What is the SMILES notation for 2-hydroxy-4-methoxy-6-nitrobenzoic acid?
The canonical SMILES for 2-hydroxy-4-methoxy-6-nitrobenzoic acid is COc1cc(O)c(C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-hydroxy-4-methoxy-6-nitrobenzoic acid?
The InChIKey is KBHOVYMRSRRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO6/c1-15-4-2-5(9(13)14)7(8(11)12)6(10)3-4/h2-3,10H,1H3,(H,11,12).
What are the key properties of 2-hydroxy-4-methoxy-6-nitrobenzoic acid?
2-hydroxy-4-methoxy-6-nitrobenzoic acid has a molecular weight of 213.14 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-6-nitrobenzoic acid is sourced from PubChem (CID 170739780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).