methyl 4-chloro-1-methylindole-2-carboxylate

C11H10ClNO2 — CID 4777691

IUPACmethyl 4-chloro-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)cccc2n1C
InChIInChI=1S/C11H10ClNO2/c1-13-9-5-3-4-8(12)7(9)6-10(13)11(14)15-2/h3-6H,1-2H3
InChIKeyPMQWODZYXFCTTM-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.62
Rot. Bonds1

About methyl 4-chloro-1-methylindole-2-carboxylate

methyl 4-chloro-1-methylindole-2-carboxylate (PubChem CID 4777691) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is methyl 4-chloro-1-methylindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1-methylindole-2-carboxylate
PubChem CID4777691
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Namemethyl 4-chloro-1-methylindole-2-carboxylate
SMILESCOC(=O)c1cc2c(Cl)cccc2n1C
InChIInChI=1S/C11H10ClNO2/c1-13-9-5-3-4-8(12)7(9)6-10(13)11(14)15-2/h3-6H,1-2H3
InChIKeyPMQWODZYXFCTTM-UHFFFAOYSA-N
XLogP2.62
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1-methylindole-2-carboxylate?
The IUPAC name of methyl 4-chloro-1-methylindole-2-carboxylate (CID 4777691) is methyl 4-chloro-1-methylindole-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-1-methylindole-2-carboxylate?
The canonical SMILES for methyl 4-chloro-1-methylindole-2-carboxylate is COC(=O)c1cc2c(Cl)cccc2n1C.
What is the InChIKey of methyl 4-chloro-1-methylindole-2-carboxylate?
The InChIKey is PMQWODZYXFCTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-13-9-5-3-4-8(12)7(9)6-10(13)11(14)15-2/h3-6H,1-2H3.
What are the key properties of methyl 4-chloro-1-methylindole-2-carboxylate?
methyl 4-chloro-1-methylindole-2-carboxylate has a molecular weight of 223.66 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1-methylindole-2-carboxylate is sourced from PubChem (CID 4777691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).