methyl 6-chloro-1H-indole-3-carboxylate

C10H8ClNO2 — CID 49108265

IUPACmethyl 6-chloro-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChIKeyZUPVYZOPRHZKNJ-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.61
Rot. Bonds1

About methyl 6-chloro-1H-indole-3-carboxylate

methyl 6-chloro-1H-indole-3-carboxylate (PubChem CID 49108265) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is methyl 6-chloro-1H-indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-1H-indole-3-carboxylate
PubChem CID49108265
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Namemethyl 6-chloro-1H-indole-3-carboxylate
SMILESCOC(=O)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChIKeyZUPVYZOPRHZKNJ-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 6-chloro-1H-indole-3-carboxylate?
The IUPAC name of methyl 6-chloro-1H-indole-3-carboxylate (CID 49108265) is methyl 6-chloro-1H-indole-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-1H-indole-3-carboxylate?
The canonical SMILES for methyl 6-chloro-1H-indole-3-carboxylate is COC(=O)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of methyl 6-chloro-1H-indole-3-carboxylate?
The InChIKey is ZUPVYZOPRHZKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3.
What are the key properties of methyl 6-chloro-1H-indole-3-carboxylate?
methyl 6-chloro-1H-indole-3-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 6-chloro-1H-indole-3-carboxylate is sourced from PubChem (CID 49108265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).