2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid

C15H12N2O2 — CID 115113789

IUPAC2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
SMILESCc1cccc2cc(-c3cc(C(=O)O)ccn3)[nH]c12
InChIInChI=1S/C15H12N2O2/c1-9-3-2-4-10-7-13(17-14(9)10)12-8-11(15(18)19)5-6-16-12/h2-8,17H,1H3,(H,18,19)
InChIKeyYMIAIOHDJQBKBG-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid

2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113789) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
PubChem CID115113789
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
SMILESCc1cccc2cc(-c3cc(C(=O)O)ccn3)[nH]c12
InChIInChI=1S/C15H12N2O2/c1-9-3-2-4-10-7-13(17-14(9)10)12-8-11(15(18)19)5-6-16-12/h2-8,17H,1H3,(H,18,19)
InChIKeyYMIAIOHDJQBKBG-UHFFFAOYSA-N
XLogP3.24
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113884
2-(5-bromo-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113961
2-(7-methyl-1H-indol-2-yl)furan-3-carboxylic acid
CID 82387630
2-(6-fluoro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113883
1-methyl-5-(7-methyl-1H-indol-2-yl)pyrazole-3-carboxylic acid
CID 136985722
2-[2-[2-(2-methylphenyl)ethyl]-1H-imidazol-5-yl]pyridine-4-carboxylic acid
CID 90457020
(7-methyl-1H-indol-2-yl)-phenylmethanone
CID 13184984
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;osmium;bis(2-pyridin-2-ylpyridine)
CID 162025014
2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;bis(2-pyridin-2-ylpyridine);ruthenium
CID 14951635
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid (CID 115113789) is 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid is Cc1cccc2cc(-c3cc(C(=O)O)ccn3)[nH]c12.
What is the InChIKey of 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is YMIAIOHDJQBKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-3-2-4-10-7-13(17-14(9)10)12-8-11(15(18)19)5-6-16-12/h2-8,17H,1H3,(H,18,19).
What are the key properties of 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid?
2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).