1-chloro-2,3-dimethylindole-7-carboxylic acid

C11H10ClNO2 — CID 174861484

IUPAC1-chloro-2,3-dimethylindole-7-carboxylic acid
SMILESCc1c(C)n(Cl)c2c(C(=O)O)cccc12
InChIInChI=1S/C11H10ClNO2/c1-6-7(2)13(12)10-8(6)4-3-5-9(10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyNRCSVBZOWOQRIP-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.96
Rot. Bonds1

About 1-chloro-2,3-dimethylindole-7-carboxylic acid

1-chloro-2,3-dimethylindole-7-carboxylic acid (PubChem CID 174861484) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 1-chloro-2,3-dimethylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-chloro-2,3-dimethylindole-7-carboxylic acid
PubChem CID174861484
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name1-chloro-2,3-dimethylindole-7-carboxylic acid
SMILESCc1c(C)n(Cl)c2c(C(=O)O)cccc12
InChIInChI=1S/C11H10ClNO2/c1-6-7(2)13(12)10-8(6)4-3-5-9(10)11(14)15/h3-5H,1-2H3,(H,14,15)
InChIKeyNRCSVBZOWOQRIP-UHFFFAOYSA-N
XLogP2.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethylindole-7-carboxylic acid?
The IUPAC name of 1-chloro-2,3-dimethylindole-7-carboxylic acid (CID 174861484) is 1-chloro-2,3-dimethylindole-7-carboxylic acid.
What is the SMILES notation for 1-chloro-2,3-dimethylindole-7-carboxylic acid?
The canonical SMILES for 1-chloro-2,3-dimethylindole-7-carboxylic acid is Cc1c(C)n(Cl)c2c(C(=O)O)cccc12.
What is the InChIKey of 1-chloro-2,3-dimethylindole-7-carboxylic acid?
The InChIKey is NRCSVBZOWOQRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-7(2)13(12)10-8(6)4-3-5-9(10)11(14)15/h3-5H,1-2H3,(H,14,15).
What are the key properties of 1-chloro-2,3-dimethylindole-7-carboxylic acid?
1-chloro-2,3-dimethylindole-7-carboxylic acid has a molecular weight of 223.66 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethylindole-7-carboxylic acid is sourced from PubChem (CID 174861484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).