5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole

C15H10BrClIN — CID 102364490

IUPAC5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
SMILESClc1ccc(Cn2cc(I)c3cc(Br)ccc32)cc1
InChIInChI=1S/C15H10BrClIN/c16-11-3-6-15-13(7-11)14(18)9-19(15)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyIZWQAUPMMGVIJW-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.71
Rot. Bonds2

About 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole

5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole (PubChem CID 102364490) has the molecular formula C15H10BrClIN and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole.

Molecular Properties

Compound Name5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
PubChem CID102364490
Molecular FormulaC15H10BrClIN
Molecular Weight446.51 g/mol
Exact Mass444.87
IUPAC Name5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole
SMILESClc1ccc(Cn2cc(I)c3cc(Br)ccc32)cc1
InChIInChI=1S/C15H10BrClIN/c16-11-3-6-15-13(7-11)14(18)9-19(15)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2
InChIKeyIZWQAUPMMGVIJW-UHFFFAOYSA-N
XLogP5.71
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]pentan-1-one
CID 11047765
5-bromo-1-[(3,4-dichlorophenyl)methyl]indole-3-carbonitrile
CID 4543496
5-chloro-1-[(4-chlorophenyl)methyl]-3-methylindole;ethane
CID 142538861
(5Z)-5-[[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 44714041
1-[5-bromo-1-[(4-methylphenyl)methyl]indol-3-yl]ethanone
CID 83526142
(5Z)-5-[[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-[(2-chlorophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 126154749
2-[5-bromo-1-[(4-phenylphenyl)methyl]indol-3-yl]acetic acid
CID 25106855
6-bromo-3-[(4-chlorophenyl)methyl]quinazolin-4-one
CID 800705
5-bromo-1-[(3-chloro-4-fluorophenyl)methyl]indole
CID 103041480
(5Z)-5-[[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126136519
5-bromo-1-[(2,4-dichlorophenyl)methyl]indole-3-carbonitrile
CID 988489
(5Z)-5-[[5-bromo-1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126138391

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole?
The IUPAC name of 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole (CID 102364490) is 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole.
What is the SMILES notation for 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole?
The canonical SMILES for 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole is Clc1ccc(Cn2cc(I)c3cc(Br)ccc32)cc1.
What is the InChIKey of 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole?
The InChIKey is IZWQAUPMMGVIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClIN/c16-11-3-6-15-13(7-11)14(18)9-19(15)8-10-1-4-12(17)5-2-10/h1-7,9H,8H2.
What are the key properties of 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole?
5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole has a molecular weight of 446.51 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-chlorophenyl)methyl]-3-iodoindole is sourced from PubChem (CID 102364490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).