2-bromo-6,7,8-trifluoroquinoline

C9H3BrF3N — CID 102941040

IUPAC2-bromo-6,7,8-trifluoroquinoline
SMILESFc1cc2ccc(Br)nc2c(F)c1F
InChIInChI=1S/C9H3BrF3N/c10-6-2-1-4-3-5(11)7(12)8(13)9(4)14-6/h1-3H
InChIKeyGVTLTSIUNOPEQQ-UHFFFAOYSA-N
MW262.03 g/mol
LogP3.41
Rot. Bonds

About 2-bromo-6,7,8-trifluoroquinoline

2-bromo-6,7,8-trifluoroquinoline (PubChem CID 102941040) has the molecular formula C9H3BrF3N and a molecular weight of 262.03 g/mol. Its IUPAC name is 2-bromo-6,7,8-trifluoroquinoline.

Molecular Properties

Compound Name2-bromo-6,7,8-trifluoroquinoline
PubChem CID102941040
Molecular FormulaC9H3BrF3N
Molecular Weight262.03 g/mol
Exact Mass260.94
IUPAC Name2-bromo-6,7,8-trifluoroquinoline
SMILESFc1cc2ccc(Br)nc2c(F)c1F
InChIInChI=1S/C9H3BrF3N/c10-6-2-1-4-3-5(11)7(12)8(13)9(4)14-6/h1-3H
InChIKeyGVTLTSIUNOPEQQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7,8-trifluoroquinoline?
The IUPAC name of 2-bromo-6,7,8-trifluoroquinoline (CID 102941040) is 2-bromo-6,7,8-trifluoroquinoline.
What is the SMILES notation for 2-bromo-6,7,8-trifluoroquinoline?
The canonical SMILES for 2-bromo-6,7,8-trifluoroquinoline is Fc1cc2ccc(Br)nc2c(F)c1F.
What is the InChIKey of 2-bromo-6,7,8-trifluoroquinoline?
The InChIKey is GVTLTSIUNOPEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrF3N/c10-6-2-1-4-3-5(11)7(12)8(13)9(4)14-6/h1-3H.
What are the key properties of 2-bromo-6,7,8-trifluoroquinoline?
2-bromo-6,7,8-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 2-bromo-6,7,8-trifluoroquinoline is sourced from PubChem (CID 102941040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).