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

C14H9ClN2O2 — CID 115113884

IUPAC2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H9ClN2O2/c15-10-2-1-8-5-13(17-11(8)7-10)12-6-9(14(18)19)3-4-16-12/h1-7,17H,(H,18,19)
InChIKeyUEHMFRDMVUUHMF-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.58
Rot. Bonds2

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

2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid (PubChem CID 115113884) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
PubChem CID115113884
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C14H9ClN2O2/c15-10-2-1-8-5-13(17-11(8)7-10)12-6-9(14(18)19)3-4-16-12/h1-7,17H,(H,18,19)
InChIKeyUEHMFRDMVUUHMF-UHFFFAOYSA-N
XLogP3.58
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113883
2-(5-bromo-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113961
2-(7-methyl-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113789
bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid);oxalic acid;ruthenium
CID 11982105
2-(5-chloro-1-methylindol-2-yl)pyridine-4-carboxylic acid
CID 115113963
5-(6-chloro-1H-indol-2-yl)-1-methylpyrrole-2-carboxylic acid
CID 115110161
6-(4-carboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid
CID 58788780
sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid
CID 173149999
5-chloro-2-(2-chloropyrimidin-4-yl)-1H-indole
CID 162717915
3-(6-chloro-1H-indol-2-yl)-1,2-oxazol-5-amine
CID 136985599
2-(1H-indazol-3-yl)-1H-indole-6-carboxylic acid
CID 135445358
2-pyridin-2-ylpyridine-4-carboxylic acid;dihydrochloride
CID 91928344

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid (CID 115113884) is 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is UEHMFRDMVUUHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-2-1-8-5-13(17-11(8)7-10)12-6-9(14(18)19)3-4-16-12/h1-7,17H,(H,18,19).
What are the key properties of 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid?
2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 115113884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).