methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate

C16H11ClFNO2 — CID 90133609

IUPACmethyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3ccc(F)cc3)c2c1Cl
InChIInChI=1S/C16H11ClFNO2/c1-21-16(20)13-7-2-10-8-9-19(15(10)14(13)17)12-5-3-11(18)4-6-12/h2-9H,1H3
InChIKeyPMOJSTDKUMMQCB-UHFFFAOYSA-N
MW303.72 g/mol
LogP4.21
Rot. Bonds2

About methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate

methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate (PubChem CID 90133609) has the molecular formula C16H11ClFNO2 and a molecular weight of 303.72 g/mol. Its IUPAC name is methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate
PubChem CID90133609
Molecular FormulaC16H11ClFNO2
Molecular Weight303.72 g/mol
Exact Mass303.05
IUPAC Namemethyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(-c3ccc(F)cc3)c2c1Cl
InChIInChI=1S/C16H11ClFNO2/c1-21-16(20)13-7-2-10-8-9-19(15(10)14(13)17)12-5-3-11(18)4-6-12/h2-9H,1H3
InChIKeyPMOJSTDKUMMQCB-UHFFFAOYSA-N
XLogP4.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate?
The IUPAC name of methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate (CID 90133609) is methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate.
What is the SMILES notation for methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate?
The canonical SMILES for methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate is COC(=O)c1ccc2ccn(-c3ccc(F)cc3)c2c1Cl.
What is the InChIKey of methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate?
The InChIKey is PMOJSTDKUMMQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO2/c1-21-16(20)13-7-2-10-8-9-19(15(10)14(13)17)12-5-3-11(18)4-6-12/h2-9H,1H3.
What are the key properties of methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate?
methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate has a molecular weight of 303.72 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-1-(4-fluorophenyl)indole-6-carboxylate is sourced from PubChem (CID 90133609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).