methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate

C10H6BrClFNO2 — CID 58475165

IUPACmethyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)c(F)c2c1Br
InChIInChI=1S/C10H6BrClFNO2/c1-16-10(15)9-7(11)6-5(14-9)3-2-4(12)8(6)13/h2-3,14H,1H3
InChIKeyOZVZSCGNZMWIEC-UHFFFAOYSA-N
MW306.52 g/mol
LogP3.51
Rot. Bonds1

About methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate

methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate (PubChem CID 58475165) has the molecular formula C10H6BrClFNO2 and a molecular weight of 306.52 g/mol. Its IUPAC name is methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
PubChem CID58475165
Molecular FormulaC10H6BrClFNO2
Molecular Weight306.52 g/mol
Exact Mass304.93
IUPAC Namemethyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccc(Cl)c(F)c2c1Br
InChIInChI=1S/C10H6BrClFNO2/c1-16-10(15)9-7(11)6-5(14-9)3-2-4(12)8(6)13/h2-3,14H,1H3
InChIKeyOZVZSCGNZMWIEC-UHFFFAOYSA-N
XLogP3.51
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Chloro-1H-indole-2-carboxylic acid
CID 82693
Ethyl 5-chloroindole-2-carboxylate
CID 78518
1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester
CID 454849
ethyl 5-chloro-3-phenyl-1H-indole-2-carboxylate
CID 737953
methyl 6-bromo-1H-indole-2-carboxylate
CID 754141
5-Chloro-3-methyl-1H-indole-2-carboxylic acid
CID 3159706
Ethyl 6-chloroindole-2-carboxylate
CID 7015027
Methyl 1H-indole-2-carboxylate
CID 70992
Ethyl 5-Bromoindole-2-carboxylate
CID 259091
ethyl 5-fluoro-1H-indole-2-carboxylate
CID 2727899
methyl 6-chloro-1H-indole-2-carboxylate
CID 4715032
ethyl 5-chloro-3-(1-phenylcyclopropyl)-1H-indole-2-carboxylate
CID 70682287

Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate (CID 58475165) is methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccc(Cl)c(F)c2c1Br.
What is the InChIKey of methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
The InChIKey is OZVZSCGNZMWIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClFNO2/c1-16-10(15)9-7(11)6-5(14-9)3-2-4(12)8(6)13/h2-3,14H,1H3.
What are the key properties of methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate?
methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate has a molecular weight of 306.52 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5-chloro-4-fluoro-1H-indole-2-carboxylate is sourced from PubChem (CID 58475165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).