1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole

C15H10BrClFN — CID 116620438

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
SMILESFc1ccc(Cn2ccc3ccc(Cl)cc32)cc1Br
InChIInChI=1S/C15H10BrClFN/c16-13-7-10(1-4-14(13)18)9-19-6-5-11-2-3-12(17)8-15(11)19/h1-8H,9H2
InChIKeyVUSIRNAEEFDGMH-UHFFFAOYSA-N
MW338.61 g/mol
LogP5.24
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole

1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole (PubChem CID 116620438) has the molecular formula C15H10BrClFN and a molecular weight of 338.61 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
PubChem CID116620438
Molecular FormulaC15H10BrClFN
Molecular Weight338.61 g/mol
Exact Mass336.97
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
SMILESFc1ccc(Cn2ccc3ccc(Cl)cc32)cc1Br
InChIInChI=1S/C15H10BrClFN/c16-13-7-10(1-4-14(13)18)9-19-6-5-11-2-3-12(17)8-15(11)19/h1-8H,9H2
InChIKeyVUSIRNAEEFDGMH-UHFFFAOYSA-N
XLogP5.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041483
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
6-bromo-1-[(4-chlorophenyl)methyl]-5-methylindole
CID 118121664
[1-[(5-chloro-2-fluorophenyl)methyl]indol-6-yl]methanol
CID 103047381
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
1-[(3-chloro-4-fluorophenyl)methyl]-6-nitroindole
CID 103041484
5-bromo-1-[(3,4-difluorophenyl)methyl]indole
CID 116619662
1-[1-[(3,4-difluorophenyl)methyl]indol-6-yl]-N-methylmethanamine
CID 82926342
6-fluoro-1-[(4-methylphenyl)methyl]indole
CID 22256864
1-[(3-bromo-4-fluorophenyl)methyl]indole-4-carbonitrile
CID 107919238

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole (CID 116620438) is 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole is Fc1ccc(Cn2ccc3ccc(Cl)cc32)cc1Br.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole?
The InChIKey is VUSIRNAEEFDGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClFN/c16-13-7-10(1-4-14(13)18)9-19-6-5-11-2-3-12(17)8-15(11)19/h1-8H,9H2.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole?
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole has a molecular weight of 338.61 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole is sourced from PubChem (CID 116620438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).