4-bromo-7,8-dichloroquinoline

C9H4BrCl2N — CID 39346133

IUPAC4-bromo-7,8-dichloroquinoline
SMILESClc1ccc2c(Br)ccnc2c1Cl
InChIInChI=1S/C9H4BrCl2N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H
InChIKeyHCKYNTRWPZIEGM-UHFFFAOYSA-N
MW276.95 g/mol
LogP4.30
Rot. Bonds

About 4-bromo-7,8-dichloroquinoline

4-bromo-7,8-dichloroquinoline (PubChem CID 39346133) has the molecular formula C9H4BrCl2N and a molecular weight of 276.95 g/mol. Its IUPAC name is 4-bromo-7,8-dichloroquinoline.

Molecular Properties

Compound Name4-bromo-7,8-dichloroquinoline
PubChem CID39346133
Molecular FormulaC9H4BrCl2N
Molecular Weight276.95 g/mol
Exact Mass274.89
IUPAC Name4-bromo-7,8-dichloroquinoline
SMILESClc1ccc2c(Br)ccnc2c1Cl
InChIInChI=1S/C9H4BrCl2N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H
InChIKeyHCKYNTRWPZIEGM-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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-7,8-dichloroquinoline?
The IUPAC name of 4-bromo-7,8-dichloroquinoline (CID 39346133) is 4-bromo-7,8-dichloroquinoline.
What is the SMILES notation for 4-bromo-7,8-dichloroquinoline?
The canonical SMILES for 4-bromo-7,8-dichloroquinoline is Clc1ccc2c(Br)ccnc2c1Cl.
What is the InChIKey of 4-bromo-7,8-dichloroquinoline?
The InChIKey is HCKYNTRWPZIEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrCl2N/c10-6-3-4-13-9-5(6)1-2-7(11)8(9)12/h1-4H.
What are the key properties of 4-bromo-7,8-dichloroquinoline?
4-bromo-7,8-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 4-bromo-7,8-dichloroquinoline is sourced from PubChem (CID 39346133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).