5-chloro-1H-indole-2-carboxylate

C9H5ClNO2- — CID 6933350

IUPAC5-chloro-1H-indole-2-carboxylate
SMILESO=C([O-])c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)/p-1
InChIKeyFUQOTYRCMBZFOL-UHFFFAOYSA-M
MW194.60 g/mol
LogP1.18
Rot. Bonds1

About 5-chloro-1H-indole-2-carboxylate

5-chloro-1H-indole-2-carboxylate (PubChem CID 6933350) has the molecular formula C9H5ClNO2- and a molecular weight of 194.60 g/mol. Its IUPAC name is 5-chloro-1H-indole-2-carboxylate.

Molecular Properties

Compound Name5-chloro-1H-indole-2-carboxylate
PubChem CID6933350
Molecular FormulaC9H5ClNO2-
Molecular Weight194.60 g/mol
Exact Mass194.00
IUPAC Name5-chloro-1H-indole-2-carboxylate
SMILESO=C([O-])c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)/p-1
InChIKeyFUQOTYRCMBZFOL-UHFFFAOYSA-M
XLogP1.18
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.60
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
1-(5-chloro-1H-indol-2-yl)heptan-1-one
CID 66777278
5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
5-chloro-N-(1-hydroxypropan-2-yl)-1H-indole-2-carboxamide
CID 78856647
4-(5-chloro-1H-indole-2-carbonyl)oxybenzoic acid
CID 71564543
5-chloro-N'-(2,6-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992565
5-chloro-N'-(2,3-difluorobenzoyl)-1H-indole-2-carbohydrazide
CID 59992512
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
5-chloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-1H-indole-2-carboxamide
CID 111542931
5-chloro-N-(5-chloro-2-methoxyphenyl)-1H-indole-2-carboxamide
CID 113207229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-indole-2-carboxylate?
The IUPAC name of 5-chloro-1H-indole-2-carboxylate (CID 6933350) is 5-chloro-1H-indole-2-carboxylate.
What is the SMILES notation for 5-chloro-1H-indole-2-carboxylate?
The canonical SMILES for 5-chloro-1H-indole-2-carboxylate is O=C([O-])c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-1H-indole-2-carboxylate?
The InChIKey is FUQOTYRCMBZFOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)/p-1.
What are the key properties of 5-chloro-1H-indole-2-carboxylate?
5-chloro-1H-indole-2-carboxylate has a molecular weight of 194.60 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-indole-2-carboxylate is sourced from PubChem (CID 6933350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).