6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid

C15H12N2O2 — CID 82382362

IUPAC6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3cccc(C(=O)O)n3)c2c1
InChIInChI=1S/C15H12N2O2/c1-9-5-6-12-10(7-9)11(8-16-12)13-3-2-4-14(17-13)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyZZCPVGJKHFJJRA-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.24
Rot. Bonds2

About 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid

6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid (PubChem CID 82382362) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
PubChem CID82382362
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid
SMILESCc1ccc2[nH]cc(-c3cccc(C(=O)O)n3)c2c1
InChIInChI=1S/C15H12N2O2/c1-9-5-6-12-10(7-9)11(8-16-12)13-3-2-4-14(17-13)15(18)19/h2-8,16H,1H3,(H,18,19)
InChIKeyZZCPVGJKHFJJRA-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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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid (CID 82382362) is 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid is Cc1ccc2[nH]cc(-c3cccc(C(=O)O)n3)c2c1.
What is the InChIKey of 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid?
The InChIKey is ZZCPVGJKHFJJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-9-5-6-12-10(7-9)11(8-16-12)13-3-2-4-14(17-13)15(18)19/h2-8,16H,1H3,(H,18,19).
What are the key properties of 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid?
6-(5-methyl-1H-indol-3-yl)pyridine-2-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 6-(5-methyl-1H-indol-3-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 82382362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).