2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid

C15H11ClN2O2 — CID 115113963

IUPAC2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)ccn2)cc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-3-2-11(16)6-10(13)8-14(18)12-7-9(15(19)20)4-5-17-12/h2-8H,1H3,(H,19,20)
InChIKeyDWMUXKZWDRGWGT-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.59
Rot. Bonds2

About 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid

2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113963) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid
PubChem CID115113963
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid
SMILESCn1c(-c2cc(C(=O)O)ccn2)cc2cc(Cl)ccc21
InChIInChI=1S/C15H11ClN2O2/c1-18-13-3-2-11(16)6-10(13)8-14(18)12-7-9(15(19)20)4-5-17-12/h2-8H,1H3,(H,19,20)
InChIKeyDWMUXKZWDRGWGT-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-hydroxy-1-methylindol-2-yl)pyridine-4-carboxylic acid
CID 136986657
2-(1-methylimidazol-2-yl)pyridine-4-carboxylic acid
CID 84671306
2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113884
2-[5-(4-chloro-2-methylphenyl)-1-methylimidazol-4-yl]pyridine-4-carboxylic acid
CID 90407838
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-[1-[2-(4-chlorophenyl)ethyl]pyrazolo[3,4-c]pyridin-5-yl]pyridine-4-carboxylic acid
CID 135308170
2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
azetidin-1-yl-(5-chloro-1-methylindol-2-yl)methanone
CID 141372490
1-(5-chloro-1-methylindol-2-yl)ethanone;ethane
CID 145281717
2-(5-methyl-1,2,4-oxadiazol-3-yl)pyridine-4-carboxylic acid
CID 71289011
6-chloro-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84633575
6-chloroquinoline-3-carboxylic acid
CID 14241492

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid (CID 115113963) is 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid is Cn1c(-c2cc(C(=O)O)ccn2)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is DWMUXKZWDRGWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-18-13-3-2-11(16)6-10(13)8-14(18)12-7-9(15(19)20)4-5-17-12/h2-8H,1H3,(H,19,20).
What are the key properties of 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid?
2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).