6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole

C12H7BrClN3 — CID 118657842

IUPAC6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole
SMILESClc1cnc(-c2cc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-7-3-11(17-10(7)4-8)12-15-5-9(14)6-16-12/h1-6,17H
InChIKeyQXQITMSDQHPMCU-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.04
Rot. Bonds1

About 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole

6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole (PubChem CID 118657842) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole.

Molecular Properties

Compound Name6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole
PubChem CID118657842
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole
SMILESClc1cnc(-c2cc3ccc(Br)cc3[nH]2)nc1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-7-3-11(17-10(7)4-8)12-15-5-9(14)6-16-12/h1-6,17H
InChIKeyQXQITMSDQHPMCU-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-[2-(5-chloropyrimidin-2-yl)ethynyl]-1H-indole
CID 118648778
2-(6-bromo-1H-indol-2-yl)benzonitrile
CID 155670182
6-bromo-2-[2-(6-bromo-1H-indol-3-yl)-1H-imidazol-5-yl]-1H-indole
CID 57400200
2-(6-bromo-1H-indol-2-yl)-5,6-dihydro-4H-1,3-oxazine
CID 70697609
2-(4-bromophenyl)-6-chloro-1H-imidazo[4,5-b]pyridine
CID 3266811
N-[1-[6-bromo-2-(6-chloro-1H-indol-2-yl)-1H-indol-3-yl]-2,2,2-trifluoroethylidene]hydroxylamine
CID 140937067
6-bromo-3-chloroisoquinoline
CID 22607530
7-bromo-1H-quinoline-2-thione
CID 102537566
5-[(E)-2-(6-bromo-1H-indol-2-yl)ethenyl]-2-chlorophenol
CID 129125365
2-(1H-indol-2-yl)quinazoline
CID 68890263
2-(6-chloro-1H-indol-2-yl)pyridine-4-carboxylic acid
CID 115113884
[2-(6-chloro-1H-indol-2-yl)-1,3-thiazol-5-yl]methanol
CID 141207781

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole?
The IUPAC name of 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole (CID 118657842) is 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole.
What is the SMILES notation for 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole?
The canonical SMILES for 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole is Clc1cnc(-c2cc3ccc(Br)cc3[nH]2)nc1.
What is the InChIKey of 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole?
The InChIKey is QXQITMSDQHPMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-2-1-7-3-11(17-10(7)4-8)12-15-5-9(14)6-16-12/h1-6,17H.
What are the key properties of 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole?
6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole has a molecular weight of 308.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-chloropyrimidin-2-yl)-1H-indole is sourced from PubChem (CID 118657842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).