7-chloro-3-ethyl-1H-indole-2-carboxylic acid

C11H10ClNO2 — CID 84624480

IUPAC7-chloro-3-ethyl-1H-indole-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClNO2/c1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyCGADXWDJOYKHNW-UHFFFAOYSA-N
MW223.66 g/mol
LogP3.08
Rot. Bonds2

About 7-chloro-3-ethyl-1H-indole-2-carboxylic acid

7-chloro-3-ethyl-1H-indole-2-carboxylic acid (PubChem CID 84624480) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 7-chloro-3-ethyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-ethyl-1H-indole-2-carboxylic acid
PubChem CID84624480
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name7-chloro-3-ethyl-1H-indole-2-carboxylic acid
SMILESCCc1c(C(=O)O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C11H10ClNO2/c1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15/h3-5,13H,2H2,1H3,(H,14,15)
InChIKeyCGADXWDJOYKHNW-UHFFFAOYSA-N
XLogP3.08
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
3-bromo-7-chloro-1H-indole-2-carboxylic acid
CID 84810523
3-ethyl-6,7-dimethyl-1H-indole-2-carboxylic acid
CID 84622566
(7-chloro-3-ethyl-1H-indol-2-yl)methanamine
CID 84621210
3-(2-aminoethyl)-7-ethyl-1H-indole-2-carboxylic acid
CID 84740939
1-(3,7-diethyl-1H-indol-2-yl)ethanone
CID 21239672
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
CID 166475916
2-bromo-7-chloro-1H-indole-3-carboxylic acid
CID 83826113
2-[7-chloro-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 4262211
3-ethyl-4-sulfanylidene-1H-quinoline-2-carboxylic acid
CID 145301705
methyl 7-chloro-3-phenyl-1H-indole-2-carboxylate
CID 166475893
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-chloro-3-ethyl-1H-indole-2-carboxylic acid (CID 84624480) is 7-chloro-3-ethyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-ethyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-ethyl-1H-indole-2-carboxylic acid is CCc1c(C(=O)O)[nH]c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-3-ethyl-1H-indole-2-carboxylic acid?
The InChIKey is CGADXWDJOYKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-6-7-4-3-5-8(12)9(7)13-10(6)11(14)15/h3-5,13H,2H2,1H3,(H,14,15).
What are the key properties of 7-chloro-3-ethyl-1H-indole-2-carboxylic acid?
7-chloro-3-ethyl-1H-indole-2-carboxylic acid has a molecular weight of 223.66 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 84624480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).