1-chloro-6-methylindole-5-carboxylic acid

C10H8ClNO2 — CID 174845917

IUPAC1-chloro-6-methylindole-5-carboxylic acid
SMILESCc1cc2c(ccn2Cl)cc1C(=O)O
InChIInChI=1S/C10H8ClNO2/c1-6-4-9-7(2-3-12(9)11)5-8(6)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyKXILWGUXGYHWEV-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.65
Rot. Bonds1

About 1-chloro-6-methylindole-5-carboxylic acid

1-chloro-6-methylindole-5-carboxylic acid (PubChem CID 174845917) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 1-chloro-6-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-chloro-6-methylindole-5-carboxylic acid
PubChem CID174845917
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name1-chloro-6-methylindole-5-carboxylic acid
SMILESCc1cc2c(ccn2Cl)cc1C(=O)O
InChIInChI=1S/C10H8ClNO2/c1-6-4-9-7(2-3-12(9)11)5-8(6)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyKXILWGUXGYHWEV-UHFFFAOYSA-N
XLogP2.65
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-methylindole-5-carboxylic acid?
The IUPAC name of 1-chloro-6-methylindole-5-carboxylic acid (CID 174845917) is 1-chloro-6-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-chloro-6-methylindole-5-carboxylic acid?
The canonical SMILES for 1-chloro-6-methylindole-5-carboxylic acid is Cc1cc2c(ccn2Cl)cc1C(=O)O.
What is the InChIKey of 1-chloro-6-methylindole-5-carboxylic acid?
The InChIKey is KXILWGUXGYHWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-6-4-9-7(2-3-12(9)11)5-8(6)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 1-chloro-6-methylindole-5-carboxylic acid?
1-chloro-6-methylindole-5-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-methylindole-5-carboxylic acid is sourced from PubChem (CID 174845917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).