methyl 4-chloro-1H-indole-6-carboxylate

C10H8ClNO2 — CID 24728828

IUPACmethyl 4-chloro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3
InChIKeyJUXKOXNZVJDRIQ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.61
Rot. Bonds1

About methyl 4-chloro-1H-indole-6-carboxylate

methyl 4-chloro-1H-indole-6-carboxylate (PubChem CID 24728828) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is methyl 4-chloro-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-1H-indole-6-carboxylate
PubChem CID24728828
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Namemethyl 4-chloro-1H-indole-6-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc[nH]c2c1
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3
InChIKeyJUXKOXNZVJDRIQ-UHFFFAOYSA-N
XLogP2.61
TPSA42.09 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-1H-indole-6-carboxylate?
The IUPAC name of methyl 4-chloro-1H-indole-6-carboxylate (CID 24728828) is methyl 4-chloro-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 4-chloro-1H-indole-6-carboxylate?
The canonical SMILES for methyl 4-chloro-1H-indole-6-carboxylate is COC(=O)c1cc(Cl)c2cc[nH]c2c1.
What is the InChIKey of methyl 4-chloro-1H-indole-6-carboxylate?
The InChIKey is JUXKOXNZVJDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-10(13)6-4-8(11)7-2-3-12-9(7)5-6/h2-5,12H,1H3.
What are the key properties of methyl 4-chloro-1H-indole-6-carboxylate?
methyl 4-chloro-1H-indole-6-carboxylate has a molecular weight of 209.63 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-1H-indole-6-carboxylate is sourced from PubChem (CID 24728828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).