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

C9H6ClNO2 — CID 15290319

IUPAC3-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
InChIKeyMVEQAUFZXJDLOP-UHFFFAOYSA-N
MW195.61 g/mol
LogP2.52
Rot. Bonds1

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

3-chloro-1H-indole-2-carboxylic acid (PubChem CID 15290319) has the molecular formula C9H6ClNO2 and a molecular weight of 195.61 g/mol. Its IUPAC name is 3-chloro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-1H-indole-2-carboxylic acid
PubChem CID15290319
Molecular FormulaC9H6ClNO2
Molecular Weight195.61 g/mol
Exact Mass195.01
IUPAC Name3-chloro-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C9H6ClNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13)
InChIKeyMVEQAUFZXJDLOP-UHFFFAOYSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.61
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-chloro-1H-indole-2-carboxylic acid (CID 15290319) is 3-chloro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-chloro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-chloro-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-1H-indole-2-carboxylic acid?
The InChIKey is MVEQAUFZXJDLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO2/c10-7-5-3-1-2-4-6(5)11-8(7)9(12)13/h1-4,11H,(H,12,13).
What are the key properties of 3-chloro-1H-indole-2-carboxylic acid?
3-chloro-1H-indole-2-carboxylic acid has a molecular weight of 195.61 g/mol, XLogP of 2.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 15290319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).