7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid

C11H10N2O5 — CID 155895736

IUPAC7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])cc2c(C(=O)O)c(C)[nH]c12
InChIInChI=1S/C11H10N2O5/c1-5-9(11(14)15)7-3-6(13(16)17)4-8(18-2)10(7)12-5/h3-4,12H,1-2H3,(H,14,15)
InChIKeySBKJYHSFMWCOEX-UHFFFAOYSA-N
MW250.21 g/mol
LogP2.09
Rot. Bonds3

About 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid

7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid (PubChem CID 155895736) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
PubChem CID155895736
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Name7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid
SMILESCOc1cc([N+](=O)[O-])cc2c(C(=O)O)c(C)[nH]c12
InChIInChI=1S/C11H10N2O5/c1-5-9(11(14)15)7-3-6(13(16)17)4-8(18-2)10(7)12-5/h3-4,12H,1-2H3,(H,14,15)
InChIKeySBKJYHSFMWCOEX-UHFFFAOYSA-N
XLogP2.09
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 52.09
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 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid 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

7-methoxy-2-methyl-1H-indole-3-carboxylic acid
CID 65335303
1-(7-methoxy-2,5-dimethyl-1H-indol-3-yl)ethanone
CID 82493293
2,3-dimethoxy-5-nitrobenzoic acid
CID 12007954
2-amino-7-methoxy-5-nitro-1H-indole-3-carbonitrile
CID 166518053
2-formyl-3-methoxy-5-nitrobenzoic acid
CID 171023213
sodium 2-carboxy-6-methoxy-4-nitrophenolate
CID 139033764
7-methoxy-5-nitro-1H-indole
CID 10797804
6-methoxy-2,4-dimethyl-3-nitrobenzoic acid
CID 50883102
2-amino-4-[2-(carboxymethoxy)-3-methoxy-5-nitrophenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406508
2-methoxy-4-methyl-6-(3-nitrophenyl)pyrimidine-5-carboxylic acid
CID 21077787
(2R)-2-(2-formyl-6-methoxy-4-nitrophenoxy)propanoic acid
CID 1494514
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid?
The IUPAC name of 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid (CID 155895736) is 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid?
The canonical SMILES for 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid is COc1cc([N+](=O)[O-])cc2c(C(=O)O)c(C)[nH]c12.
What is the InChIKey of 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid?
The InChIKey is SBKJYHSFMWCOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-5-9(11(14)15)7-3-6(13(16)17)4-8(18-2)10(7)12-5/h3-4,12H,1-2H3,(H,14,15).
What are the key properties of 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid?
7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methyl-5-nitro-1H-indole-3-carboxylic acid is sourced from PubChem (CID 155895736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).