3-bromo-5,8-dichloroquinoline

C9H4BrCl2N — CID 67706572

IUPAC3-bromo-5,8-dichloroquinoline
SMILESClc1ccc(Cl)c2ncc(Br)cc12
InChIInChI=1S/C9H4BrCl2N/c10-5-3-6-7(11)1-2-8(12)9(6)13-4-5/h1-4H
InChIKeySSEFXWGQYMRQTG-UHFFFAOYSA-N
MW276.95 g/mol
LogP4.30
Rot. Bonds

About 3-bromo-5,8-dichloroquinoline

3-bromo-5,8-dichloroquinoline (PubChem CID 67706572) has the molecular formula C9H4BrCl2N and a molecular weight of 276.95 g/mol. Its IUPAC name is 3-bromo-5,8-dichloroquinoline.

Molecular Properties

Compound Name3-bromo-5,8-dichloroquinoline
PubChem CID67706572
Molecular FormulaC9H4BrCl2N
Molecular Weight276.95 g/mol
Exact Mass274.89
IUPAC Name3-bromo-5,8-dichloroquinoline
SMILESClc1ccc(Cl)c2ncc(Br)cc12
InChIInChI=1S/C9H4BrCl2N/c10-5-3-6-7(11)1-2-8(12)9(6)13-4-5/h1-4H
InChIKeySSEFXWGQYMRQTG-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.95
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5,8-dichloroquinolin-3-ol
CID 106989834
3-bromo-8-chloro-1,5-naphthyridine
CID 13459137
3-bromo-8-chloroquinoline;tetramethylazanium
CID 67706558
3-bromo-8-(2,5-dichlorophenyl)sulfanylquinolin-5-amine
CID 106949938
4,6,8-tribromo-3-chloroquinoline
CID 114764037
7-bromo-4-chloropyrido[3,2-c]pyridazine
CID 162682576
5-bromo-8-chloroquinazoline
CID 171373781
5-bromo-3-(5-chloro-8-fluoroisoquinolin-3-yl)pyridin-2-amine
CID 67520767
3-bromo-8-(2-chlorophenoxy)quinolin-5-amine
CID 106949776
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
3-bromo-5-[(4-chlorophenyl)methyl]-7H-pyrido[2,3-d]pyridazin-8-one
CID 151631626
3,8-dibromo-4,7-dichloroquinoline
CID 103481167

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,8-dichloroquinoline?
The IUPAC name of 3-bromo-5,8-dichloroquinoline (CID 67706572) is 3-bromo-5,8-dichloroquinoline.
What is the SMILES notation for 3-bromo-5,8-dichloroquinoline?
The canonical SMILES for 3-bromo-5,8-dichloroquinoline is Clc1ccc(Cl)c2ncc(Br)cc12.
What is the InChIKey of 3-bromo-5,8-dichloroquinoline?
The InChIKey is SSEFXWGQYMRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2N/c10-5-3-6-7(11)1-2-8(12)9(6)13-4-5/h1-4H.
What are the key properties of 3-bromo-5,8-dichloroquinoline?
3-bromo-5,8-dichloroquinoline has a molecular weight of 276.95 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,8-dichloroquinoline is sourced from PubChem (CID 67706572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).