7-bromo-2-(3-chlorophenyl)-1H-indole

C14H9BrClN — CID 131886846

IUPAC7-bromo-2-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2cc3cccc(Br)c3[nH]2)c1
InChIInChI=1S/C14H9BrClN/c15-12-6-2-4-10-8-13(17-14(10)12)9-3-1-5-11(16)7-9/h1-8,17H
InChIKeyYTZFRWCBGVYXLL-UHFFFAOYSA-N
MW306.59 g/mol
LogP5.25
Rot. Bonds1

About 7-bromo-2-(3-chlorophenyl)-1H-indole

7-bromo-2-(3-chlorophenyl)-1H-indole (PubChem CID 131886846) has the molecular formula C14H9BrClN and a molecular weight of 306.59 g/mol. Its IUPAC name is 7-bromo-2-(3-chlorophenyl)-1H-indole.

Molecular Properties

Compound Name7-bromo-2-(3-chlorophenyl)-1H-indole
PubChem CID131886846
Molecular FormulaC14H9BrClN
Molecular Weight306.59 g/mol
Exact Mass304.96
IUPAC Name7-bromo-2-(3-chlorophenyl)-1H-indole
SMILESClc1cccc(-c2cc3cccc(Br)c3[nH]2)c1
InChIInChI=1S/C14H9BrClN/c15-12-6-2-4-10-8-13(17-14(10)12)9-3-1-5-11(16)7-9/h1-8,17H
InChIKeyYTZFRWCBGVYXLL-UHFFFAOYSA-N
XLogP5.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.59
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-Chlorophenyl)-1H-indole
CID 220463
3,6-Dibromocarbazole
CID 274874
2,7-Dibromocarbazole
CID 11151503
6-Bromo-1,2,3,4-tetrahydrocarbazole
CID 268877
5-Chloro-2-methylindole
CID 70636
3-Bromocarbazole
CID 252446
3-Chlorocarbazole
CID 520302
6-Bromo-4,9-dihydro-3H-beta-carboline
CID 42281505
5-chloro-2-phenyl-1H-indole
CID 1481465
3,6-Dichlorocarbazole
CID 236487
6-Chloro-1,2,3,4-tetrahydrocarbazole
CID 326615
2-chloro-9H-carbazole
CID 2752388

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(3-chlorophenyl)-1H-indole?
The IUPAC name of 7-bromo-2-(3-chlorophenyl)-1H-indole (CID 131886846) is 7-bromo-2-(3-chlorophenyl)-1H-indole.
What is the SMILES notation for 7-bromo-2-(3-chlorophenyl)-1H-indole?
The canonical SMILES for 7-bromo-2-(3-chlorophenyl)-1H-indole is Clc1cccc(-c2cc3cccc(Br)c3[nH]2)c1.
What is the InChIKey of 7-bromo-2-(3-chlorophenyl)-1H-indole?
The InChIKey is YTZFRWCBGVYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClN/c15-12-6-2-4-10-8-13(17-14(10)12)9-3-1-5-11(16)7-9/h1-8,17H.
What are the key properties of 7-bromo-2-(3-chlorophenyl)-1H-indole?
7-bromo-2-(3-chlorophenyl)-1H-indole has a molecular weight of 306.59 g/mol, XLogP of 5.25, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(3-chlorophenyl)-1H-indole is sourced from PubChem (CID 131886846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).