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

C10H9NO3 — CID 54725333

IUPAC3-hydroxy-7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(O)c(C(=O)O)[nH]c12
InChIInChI=1S/C10H9NO3/c1-5-3-2-4-6-7(5)11-8(9(6)12)10(13)14/h2-4,11-12H,1H3,(H,13,14)
InChIKeyFARHIXCMWAQGFH-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.88
Rot. Bonds1

About 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid

3-hydroxy-7-methyl-1H-indole-2-carboxylic acid (PubChem CID 54725333) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-7-methyl-1H-indole-2-carboxylic acid
PubChem CID54725333
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-hydroxy-7-methyl-1H-indole-2-carboxylic acid
SMILESCc1cccc2c(O)c(C(=O)O)[nH]c12
InChIInChI=1S/C10H9NO3/c1-5-3-2-4-6-7(5)11-8(9(6)12)10(13)14/h2-4,11-12H,1H3,(H,13,14)
InChIKeyFARHIXCMWAQGFH-UHFFFAOYSA-N
XLogP1.88
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1H-indole-2-carboxylic acid
CID 259188
5-Hydroxyindole-2-carboxylic acid
CID 88958
3-Methyl-1H-indole-2-carboxylic acid
CID 2752638
5-Ethyl-2-indolecarboxylic acid
CID 269697
7-Methyl-1H-indole-2-carboxylic acid
CID 3296119
1H-Indole-3-butanoic acid, 2-carboxy-
CID 169314
7-Methoxy-3-methyl-1H-indole-2-carboxylic acid
CID 649614
6-Hydroxy-1H-indole-2-carboxylic acid
CID 22350191
7-methyl-3-phenyl-1H-indole-2-carboxylic acid
CID 16645886
ethyl 3-hydroxy-1H-indole-2-carboxylate
CID 84394
5-Fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-Ethyl-1H-indole-2-carboxylic acid
CID 19787139

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid (CID 54725333) is 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid is Cc1cccc2c(O)c(C(=O)O)[nH]c12.
What is the InChIKey of 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid?
The InChIKey is FARHIXCMWAQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-3-2-4-6-7(5)11-8(9(6)12)10(13)14/h2-4,11-12H,1H3,(H,13,14).
What are the key properties of 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid?
3-hydroxy-7-methyl-1H-indole-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 54725333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).