4-chloro-1-methylindole-2-carboxylic acid

C10H8ClNO2 — CID 4777909

IUPAC4-chloro-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(Cl)cccc21
InChIInChI=1S/C10H8ClNO2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyVGCZPBOQBLXWRG-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.53
Rot. Bonds1

About 4-chloro-1-methylindole-2-carboxylic acid

4-chloro-1-methylindole-2-carboxylic acid (PubChem CID 4777909) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 4-chloro-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-1-methylindole-2-carboxylic acid
PubChem CID4777909
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name4-chloro-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2c(Cl)cccc21
InChIInChI=1S/C10H8ClNO2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14)
InChIKeyVGCZPBOQBLXWRG-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methylindole-2-carboxylic acid?
The IUPAC name of 4-chloro-1-methylindole-2-carboxylic acid (CID 4777909) is 4-chloro-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 4-chloro-1-methylindole-2-carboxylic acid?
The canonical SMILES for 4-chloro-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-1-methylindole-2-carboxylic acid?
The InChIKey is VGCZPBOQBLXWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-12-8-4-2-3-7(11)6(8)5-9(12)10(13)14/h2-5H,1H3,(H,13,14).
What are the key properties of 4-chloro-1-methylindole-2-carboxylic acid?
4-chloro-1-methylindole-2-carboxylic acid has a molecular weight of 209.63 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 4777909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).