3,8-dibromo-4-chloro-5-fluoroquinoline

C9H3Br2ClFN — CID 107627843

IUPAC3,8-dibromo-4-chloro-5-fluoroquinoline
SMILESFc1ccc(Br)c2ncc(Br)c(Cl)c12
InChIInChI=1S/C9H3Br2ClFN/c10-4-1-2-6(13)7-8(12)5(11)3-14-9(4)7/h1-3H
InChIKeyMUZWVNHVMLBYJX-UHFFFAOYSA-N
MW339.39 g/mol
LogP4.55
Rot. Bonds

About 3,8-dibromo-4-chloro-5-fluoroquinoline

3,8-dibromo-4-chloro-5-fluoroquinoline (PubChem CID 107627843) has the molecular formula C9H3Br2ClFN and a molecular weight of 339.39 g/mol. Its IUPAC name is 3,8-dibromo-4-chloro-5-fluoroquinoline.

Molecular Properties

Compound Name3,8-dibromo-4-chloro-5-fluoroquinoline
PubChem CID107627843
Molecular FormulaC9H3Br2ClFN
Molecular Weight339.39 g/mol
Exact Mass336.83
IUPAC Name3,8-dibromo-4-chloro-5-fluoroquinoline
SMILESFc1ccc(Br)c2ncc(Br)c(Cl)c12
InChIInChI=1S/C9H3Br2ClFN/c10-4-1-2-6(13)7-8(12)5(11)3-14-9(4)7/h1-3H
InChIKeyMUZWVNHVMLBYJX-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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Related Compounds

methyl 8-bromo-4-chloro-5-fluoroquinoline-3-carboxylate
CID 107627758
4,8-dibromo-5-fluoroquinoline
CID 107627841
3,5-dibromo-4-chloro-8-methoxyquinoline
CID 114759895
4-chloro-5-fluoro-3,8-dimethylquinoline
CID 171373227
3,8-dibromo-4-chloro-6-fluoroquinoline
CID 114759885
8-bromo-4-chloro-3-ethyl-5-fluoro-2-methylquinoline
CID 107628279
methyl 4,8-dibromo-5-fluoroquinoline-3-carboxylate
CID 107627760
8-bromo-4-chloro-3-methyl-5-(trifluoromethyl)quinoline
CID 171373219
5,8-dibromo-4-chloro-3-nitroquinoline
CID 102614186
5-bromo-1-chloro-8-fluoroisoquinoline
CID 82571491
4,8-dichloro-5-fluoroquinoline-3-carbonitrile
CID 107528767
3,8-dibromo-4,7-dichloroquinoline
CID 103481167

Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-4-chloro-5-fluoroquinoline?
The IUPAC name of 3,8-dibromo-4-chloro-5-fluoroquinoline (CID 107627843) is 3,8-dibromo-4-chloro-5-fluoroquinoline.
What is the SMILES notation for 3,8-dibromo-4-chloro-5-fluoroquinoline?
The canonical SMILES for 3,8-dibromo-4-chloro-5-fluoroquinoline is Fc1ccc(Br)c2ncc(Br)c(Cl)c12.
What is the InChIKey of 3,8-dibromo-4-chloro-5-fluoroquinoline?
The InChIKey is MUZWVNHVMLBYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2ClFN/c10-4-1-2-6(13)7-8(12)5(11)3-14-9(4)7/h1-3H.
What are the key properties of 3,8-dibromo-4-chloro-5-fluoroquinoline?
3,8-dibromo-4-chloro-5-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-5-fluoroquinoline is sourced from PubChem (CID 107627843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).