3,8-dibromo-4-chloro-6-fluoroquinoline

C9H3Br2ClFN — CID 114759885

IUPAC3,8-dibromo-4-chloro-6-fluoroquinoline
SMILESFc1cc(Br)c2ncc(Br)c(Cl)c2c1
InChIInChI=1S/C9H3Br2ClFN/c10-6-2-4(13)1-5-8(12)7(11)3-14-9(5)6/h1-3H
InChIKeyXHIXXPKLUAWRHW-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.55
Rot. Bonds

About 3,8-dibromo-4-chloro-6-fluoroquinoline

3,8-dibromo-4-chloro-6-fluoroquinoline (PubChem CID 114759885) has the molecular formula C9H3Br2ClFN and a molecular weight of 339.39 g/mol. Its IUPAC name is 3,8-dibromo-4-chloro-6-fluoroquinoline.

Molecular Properties

Compound Name3,8-dibromo-4-chloro-6-fluoroquinoline
PubChem CID114759885
Molecular FormulaC9H3Br2ClFN
Molecular Weight339.39 g/mol
Exact Mass336.83
IUPAC Name3,8-dibromo-4-chloro-6-fluoroquinoline
SMILESFc1cc(Br)c2ncc(Br)c(Cl)c2c1
InChIInChI=1S/C9H3Br2ClFN/c10-6-2-4(13)1-5-8(12)7(11)3-14-9(5)6/h1-3H
InChIKeyXHIXXPKLUAWRHW-UHFFFAOYSA-N
XLogP4.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-4-chloro-6-fluoroquinoline?
The IUPAC name of 3,8-dibromo-4-chloro-6-fluoroquinoline (CID 114759885) is 3,8-dibromo-4-chloro-6-fluoroquinoline.
What is the SMILES notation for 3,8-dibromo-4-chloro-6-fluoroquinoline?
The canonical SMILES for 3,8-dibromo-4-chloro-6-fluoroquinoline is Fc1cc(Br)c2ncc(Br)c(Cl)c2c1.
What is the InChIKey of 3,8-dibromo-4-chloro-6-fluoroquinoline?
The InChIKey is XHIXXPKLUAWRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2ClFN/c10-6-2-4(13)1-5-8(12)7(11)3-14-9(5)6/h1-3H.
What are the key properties of 3,8-dibromo-4-chloro-6-fluoroquinoline?
3,8-dibromo-4-chloro-6-fluoroquinoline has a molecular weight of 339.39 g/mol, XLogP of 4.55, 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-chloro-6-fluoroquinoline is sourced from PubChem (CID 114759885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).