6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid

C15H11ClN2O2 — CID 115110657

IUPAC6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
SMILESCc1[nH]c2cccc(Cl)c2c1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H11ClN2O2/c1-8-13(11-6-5-9(7-17-11)15(19)20)14-10(16)3-2-4-12(14)18-8/h2-7,18H,1H3,(H,19,20)
InChIKeyXMVOPLIFBNOXLL-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.89
Rot. Bonds2

About 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid

6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid (PubChem CID 115110657) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
PubChem CID115110657
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid
SMILESCc1[nH]c2cccc(Cl)c2c1-c1ccc(C(=O)O)cn1
InChIInChI=1S/C15H11ClN2O2/c1-8-13(11-6-5-9(7-17-11)15(19)20)14-10(16)3-2-4-12(14)18-8/h2-7,18H,1H3,(H,19,20)
InChIKeyXMVOPLIFBNOXLL-UHFFFAOYSA-N
XLogP3.89
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-chloro-2-methyl-1H-indol-3-yl)-1H-pyrazole-4-carboxylic acid
CID 136986379
5-(4-chloro-2-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986361
6-(4-hydroxy-1H-indol-2-yl)pyridine-3-carboxylic acid
CID 136986560
3-(2,4-dimethyl-1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 136986099
3-(4-chloro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
CID 136986109
6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
CID 53212190
6-(4-hydroxy-1,2-dimethylindol-3-yl)pyridine-3-carboxylic acid
CID 115110676
2-(5-methyl-2-pyridinyl)pyrimidine-5-carboxylic acid
CID 71743310
6-[(2-chloro-6-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 137373603

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid (CID 115110657) is 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid is Cc1[nH]c2cccc(Cl)c2c1-c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is XMVOPLIFBNOXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-8-13(11-6-5-9(7-17-11)15(19)20)14-10(16)3-2-4-12(14)18-8/h2-7,18H,1H3,(H,19,20).
What are the key properties of 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid?
6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methyl-1H-indol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115110657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).