3,8-dibromo-4,7-dichloroquinoline

C9H3Br2Cl2N — CID 103481167

IUPAC3,8-dibromo-4,7-dichloroquinoline
SMILESClc1ccc2c(Cl)c(Br)cnc2c1Br
InChIInChI=1S/C9H3Br2Cl2N/c10-5-3-14-9-4(8(5)13)1-2-6(12)7(9)11/h1-3H
InChIKeyYQXUSNNLJKACOQ-UHFFFAOYSA-N
MW355.84 g/mol
LogP5.07
Rot. Bonds

About 3,8-dibromo-4,7-dichloroquinoline

3,8-dibromo-4,7-dichloroquinoline (PubChem CID 103481167) has the molecular formula C9H3Br2Cl2N and a molecular weight of 355.84 g/mol. Its IUPAC name is 3,8-dibromo-4,7-dichloroquinoline.

Molecular Properties

Compound Name3,8-dibromo-4,7-dichloroquinoline
PubChem CID103481167
Molecular FormulaC9H3Br2Cl2N
Molecular Weight355.84 g/mol
Exact Mass352.80
IUPAC Name3,8-dibromo-4,7-dichloroquinoline
SMILESClc1ccc2c(Cl)c(Br)cnc2c1Br
InChIInChI=1S/C9H3Br2Cl2N/c10-5-3-14-9-4(8(5)13)1-2-6(12)7(9)11/h1-3H
InChIKeyYQXUSNNLJKACOQ-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.84
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-7-chloroquinolin-4-amine
CID 103481461
3,8-dibromo-4-chloro-6-fluoroquinoline
CID 114759885
4-bromo-7,8-dichloroquinoline
CID 39346133
6-bromo-7-chloro-3-ethoxy-1-methylpyrrolo[3,2-c]quinoline
CID 156882044
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
3-bromo-5,8-dichloroquinoline
CID 67706572
4,7-dichloro-8-fluoroquinolin-3-amine
CID 102614171
4-bromo-3-chloro-8-methyl-1,5-naphthyridine
CID 103416479
5-bromo-8-chloroquinazoline
CID 171373781
4,6,8-tribromo-3-chloroquinoline
CID 114764037
3,5-dibromo-4-chloro-8-methoxyquinoline
CID 114759895
5-bromo-3,4-dichloropyridin-2-amine
CID 90112572

Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-4,7-dichloroquinoline?
The IUPAC name of 3,8-dibromo-4,7-dichloroquinoline (CID 103481167) is 3,8-dibromo-4,7-dichloroquinoline.
What is the SMILES notation for 3,8-dibromo-4,7-dichloroquinoline?
The canonical SMILES for 3,8-dibromo-4,7-dichloroquinoline is Clc1ccc2c(Cl)c(Br)cnc2c1Br.
What is the InChIKey of 3,8-dibromo-4,7-dichloroquinoline?
The InChIKey is YQXUSNNLJKACOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2Cl2N/c10-5-3-14-9-4(8(5)13)1-2-6(12)7(9)11/h1-3H.
What are the key properties of 3,8-dibromo-4,7-dichloroquinoline?
3,8-dibromo-4,7-dichloroquinoline has a molecular weight of 355.84 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-4,7-dichloroquinoline is sourced from PubChem (CID 103481167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).