4-bromo-5,6,7-trifluoroquinoline

C9H3BrF3N — CID 114764064

IUPAC4-bromo-5,6,7-trifluoroquinoline
SMILESFc1cc2nccc(Br)c2c(F)c1F
InChIInChI=1S/C9H3BrF3N/c10-4-1-2-14-6-3-5(11)8(12)9(13)7(4)6/h1-3H
InChIKeyOYNIIIXNWFLJMW-UHFFFAOYSA-N
MW262.03 g/mol
LogP3.41
Rot. Bonds

About 4-bromo-5,6,7-trifluoroquinoline

4-bromo-5,6,7-trifluoroquinoline (PubChem CID 114764064) has the molecular formula C9H3BrF3N and a molecular weight of 262.03 g/mol. Its IUPAC name is 4-bromo-5,6,7-trifluoroquinoline.

Molecular Properties

Compound Name4-bromo-5,6,7-trifluoroquinoline
PubChem CID114764064
Molecular FormulaC9H3BrF3N
Molecular Weight262.03 g/mol
Exact Mass260.94
IUPAC Name4-bromo-5,6,7-trifluoroquinoline
SMILESFc1cc2nccc(Br)c2c(F)c1F
InChIInChI=1S/C9H3BrF3N/c10-4-1-2-14-6-3-5(11)8(12)9(13)7(4)6/h1-3H
InChIKeyOYNIIIXNWFLJMW-UHFFFAOYSA-N
XLogP3.41
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.03
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5,7-dimethylquinoline
CID 39346126
4-bromo-6-ethoxy-7-fluoroquinoline
CID 114764168
5,6,7-trifluoroquinoline
CID 91426600
4,8-dibromo-5-fluoroquinoline
CID 107627841
4-bromo-3-fluoro-1-methylpyrrolo[2,3-b]pyridine
CID 177261833
4-bromo-3-fluoro-2-propan-2-ylpyridine
CID 130153363
4-bromo-2-fluoro-3-methylpyridine
CID 22888280
4-bromo-8-fluoro-6-methylquinoline
CID 114764008
8-bromo-2-fluoro-1,5-naphthyridine
CID 86767805
4-bromo-2-fluoro-3-methylpyridine;ethane
CID 143380357
4,5,8-tribromoquinoline
CID 114764035
6-bromo-5-fluoroquinoxaline
CID 154729420

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,6,7-trifluoroquinoline?
The IUPAC name of 4-bromo-5,6,7-trifluoroquinoline (CID 114764064) is 4-bromo-5,6,7-trifluoroquinoline.
What is the SMILES notation for 4-bromo-5,6,7-trifluoroquinoline?
The canonical SMILES for 4-bromo-5,6,7-trifluoroquinoline is Fc1cc2nccc(Br)c2c(F)c1F.
What is the InChIKey of 4-bromo-5,6,7-trifluoroquinoline?
The InChIKey is OYNIIIXNWFLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF3N/c10-4-1-2-14-6-3-5(11)8(12)9(13)7(4)6/h1-3H.
What are the key properties of 4-bromo-5,6,7-trifluoroquinoline?
4-bromo-5,6,7-trifluoroquinoline has a molecular weight of 262.03 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,6,7-trifluoroquinoline is sourced from PubChem (CID 114764064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).