2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid

C14H12N2O2 — CID 82388017

IUPAC2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc2cc(-c3[nH]ccc3C(=O)O)[nH]c2c1
InChIInChI=1S/C14H12N2O2/c1-8-2-3-9-7-12(16-11(9)6-8)13-10(14(17)18)4-5-15-13/h2-7,15-16H,1H3,(H,17,18)
InChIKeyXQNHURHHCXQIRO-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.17
Rot. Bonds2

About 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid

2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82388017) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID82388017
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1ccc2cc(-c3[nH]ccc3C(=O)O)[nH]c2c1
InChIInChI=1S/C14H12N2O2/c1-8-2-3-9-7-12(16-11(9)6-8)13-10(14(17)18)4-5-15-13/h2-7,15-16H,1H3,(H,17,18)
InChIKeyXQNHURHHCXQIRO-UHFFFAOYSA-N
XLogP3.17
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(6-methyl-1H-indol-2-yl)phenyl]acetamide
CID 91585636
4-methyl-2-(1H-pyrrol-2-yl)benzoic acid
CID 103341539
5-(1H-indol-5-yl)-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82388064
hydron;6-methyl-1H-indole
CID 174894355
3-(1H-indol-2-yl)-5-(4-methylphenyl)benzoic acid
CID 68762875
3,7-dimethyl-1H-quinolin-2-one
CID 12693830
2-fluoro-6-methyl-1H-indole
CID 150508639
2-(6-methylpyrimidin-4-yl)-1H-pyrrole-3-carboxylic acid
CID 96619111
(6-methyl-1H-indol-2-yl)methanol
CID 71720977
5-(6-hydroxy-1H-indol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 136986451
2-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82381368
2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid
CID 11393662

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid (CID 82388017) is 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid is Cc1ccc2cc(-c3[nH]ccc3C(=O)O)[nH]c2c1.
What is the InChIKey of 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is XQNHURHHCXQIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-8-2-3-9-7-12(16-11(9)6-8)13-10(14(17)18)4-5-15-13/h2-7,15-16H,1H3,(H,17,18).
What are the key properties of 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid?
2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 3.17, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1H-indol-2-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82388017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).