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

C12H10ClNO2 — CID 166475916

IUPAC7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cccc2c1C1CC1
InChIInChI=1S/C12H10ClNO2/c13-8-3-1-2-7-9(6-4-5-6)11(12(15)16)14-10(7)8/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyLGELZQVLJMXXCY-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.40
Rot. Bonds2

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

7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid (PubChem CID 166475916) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
PubChem CID166475916
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2c(Cl)cccc2c1C1CC1
InChIInChI=1S/C12H10ClNO2/c13-8-3-1-2-7-9(6-4-5-6)11(12(15)16)14-10(7)8/h1-3,6,14H,4-5H2,(H,15,16)
InChIKeyLGELZQVLJMXXCY-UHFFFAOYSA-N
XLogP3.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.40
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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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid?
The IUPAC name of 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid (CID 166475916) is 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2c(Cl)cccc2c1C1CC1.
What is the InChIKey of 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid?
The InChIKey is LGELZQVLJMXXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c13-8-3-1-2-7-9(6-4-5-6)11(12(15)16)14-10(7)8/h1-3,6,14H,4-5H2,(H,15,16).
What are the key properties of 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid?
7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-cyclopropyl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 166475916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).