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

C10H9NO2 — CID 259188

IUPAC5-methyl-1H-indole-2-carboxylic acid
SMILESCC1=CC2=C(C=C1)NC(=C2)C(=O)O
InChIInChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyDAITVOCMWPNFTL-UHFFFAOYSA-N
MW175.18 g/mol
LogP2.70
Rot. Bonds1

About 5-methyl-1H-indole-2-carboxylic acid

5-methyl-1H-indole-2-carboxylic acid (PubChem CID 259188) has the molecular formula C10H9NO2 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-methyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1H-indole-2-carboxylic acid
PubChem CID259188
Molecular FormulaC10H9NO2
Molecular Weight175.18 g/mol
Exact Mass175.06
IUPAC Name5-methyl-1H-indole-2-carboxylic acid
SMILESCC1=CC2=C(C=C1)NC(=C2)C(=O)O
InChIInChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeyDAITVOCMWPNFTL-UHFFFAOYSA-N
XLogP2.70
TPSA53.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity217

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1H-indole-2-carboxylic acid?
The IUPAC name of 5-methyl-1H-indole-2-carboxylic acid (CID 259188) is 5-methyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-methyl-1H-indole-2-carboxylic acid is CC1=CC2=C(C=C1)NC(=C2)C(=O)O.
What is the InChIKey of 5-methyl-1H-indole-2-carboxylic acid?
The InChIKey is DAITVOCMWPNFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-6-2-3-8-7(4-6)5-9(11-8)10(12)13/h2-5,11H,1H3,(H,12,13).
What are the key properties of 5-methyl-1H-indole-2-carboxylic acid?
5-methyl-1H-indole-2-carboxylic acid has a molecular weight of 175.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 259188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).