7-methyl-1H-indole-2-carboxylic acid

C10H9NO2 — CID 3296119

IUPAC7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11H,1H3,(H,12,13)
InChIKeyOLNYNTKNRVFVBI-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.17
Rot. Bonds1

About 7-methyl-1H-indole-2-carboxylic acid

7-methyl-1H-indole-2-carboxylic acid (PubChem CID 3296119) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1H-indole-2-carboxylic acid
PubChem CID3296119
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11H,1H3,(H,12,13)
InChIKeyOLNYNTKNRVFVBI-UHFFFAOYSA-N
XLogP2.17
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

Indole-2-carboxylic acid
CID 72899
5-Fluoroindole-2-carboxylic acid
CID 1820
5-Chloro-1H-indole-2-carboxylic acid
CID 82693
5-Methoxyindole-2-carboxylic acid
CID 20401
9H-Pyrido(3,4-b)indole-3-carboxylic acid
CID 173262
5-methyl-1H-indole-2-carboxylic acid
CID 259188
2-(Ethoxycarbonyl)-1H-indole-5-carboxylic acid
CID 18071365
4,6-Dichloro-1H-indole-2-carboxylic acid
CID 127988
1H-Indole-7-carboxylic acid
CID 74281
1H-Indole-5-Carboxylic Acid
CID 74280
2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 2063433
7-nitro-1H-indole-2-carboxylic acid
CID 81409

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-methyl-1H-indole-2-carboxylic acid (CID 3296119) is 7-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-methyl-1H-indole-2-carboxylic acid is Cc1cccc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 7-methyl-1H-indole-2-carboxylic acid?
The InChIKey is OLNYNTKNRVFVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(10(12)13)11-9(6)7/h2-5,11H,1H3,(H,12,13).
What are the key properties of 7-methyl-1H-indole-2-carboxylic acid?
7-methyl-1H-indole-2-carboxylic acid has a molecular weight of 175.19 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 3296119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).