5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid

C13H9ClN2O2 — CID 115110110

IUPAC5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3[nH]2)[nH]1
InChIInChI=1S/C13H9ClN2O2/c14-8-3-1-2-7-6-11(16-12(7)8)9-4-5-10(15-9)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyUHPWGWDKVTYFBZ-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.51
Rot. Bonds2

About 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid

5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid (PubChem CID 115110110) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
PubChem CID115110110
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc3cccc(Cl)c3[nH]2)[nH]1
InChIInChI=1S/C13H9ClN2O2/c14-8-3-1-2-7-6-11(16-12(7)8)9-4-5-10(15-9)13(17)18/h1-6,15-16H,(H,17,18)
InChIKeyUHPWGWDKVTYFBZ-UHFFFAOYSA-N
XLogP3.51
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
7-chloro-2-(4-chlorophenyl)-1H-indole
CID 14045525
7-chloro-1H-indole-2-carbohydrazide
CID 13466352
5-(7-chloro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985567
8-chloro-3-hydroxy-1H-quinolin-2-one
CID 13271054
N-(4-bromophenyl)-7-chloro-1H-indole-2-carboxamide
CID 108791596
7-chloro-2-(4-methoxyphenyl)-1H-indole
CID 131886896
7-chloro-2-fluoro-1H-indole
CID 150428861
(7-chloro-1H-indol-2-yl)boronic acid
CID 67313374
5-(2,6-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 133092701
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
8-chloro-2-oxo-1H-quinoline-4-carboxylic acid
CID 670543

Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid (CID 115110110) is 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1ccc(-c2cc3cccc(Cl)c3[nH]2)[nH]1.
What is the InChIKey of 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is UHPWGWDKVTYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-8-3-1-2-7-6-11(16-12(7)8)9-4-5-10(15-9)13(17)18/h1-6,15-16H,(H,17,18).
What are the key properties of 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid?
5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 260.68 g/mol, XLogP of 3.51, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-1H-indol-2-yl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 115110110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).