2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline

C11H6Br2F3NO — CID 11581790

IUPAC2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline
SMILESCOc1cc(Br)cc2nc(Br)cc(C(F)(F)F)c12
InChIInChI=1S/C11H6Br2F3NO/c1-18-8-3-5(12)2-7-10(8)6(11(14,15)16)4-9(13)17-7/h2-4H,1H3
InChIKeyLWSQMRZYHYVUPN-UHFFFAOYSA-N
MW384.98 g/mol
LogP4.79
Rot. Bonds1

About 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline

2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline (PubChem CID 11581790) has the molecular formula C11H6Br2F3NO and a molecular weight of 384.98 g/mol. Its IUPAC name is 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline
PubChem CID11581790
Molecular FormulaC11H6Br2F3NO
Molecular Weight384.98 g/mol
Exact Mass382.88
IUPAC Name2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline
SMILESCOc1cc(Br)cc2nc(Br)cc(C(F)(F)F)c12
InChIInChI=1S/C11H6Br2F3NO/c1-18-8-3-5(12)2-7-10(8)6(11(14,15)16)4-9(13)17-7/h2-4H,1H3
InChIKeyLWSQMRZYHYVUPN-UHFFFAOYSA-N
XLogP4.79
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.98
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-methoxy-3-methyl-2H-indazole
CID 126681019
1-bromo-2,4-dimethoxy-5-(trifluoromethyl)benzene
CID 131371239
4-bromo-2-methoxy-6-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83954646
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
2-bromo-6-methoxy-4-(trifluoromethyl)pyridine
CID 129248998
6-bromo-3-fluoro-2-methyl-4-(trifluoromethyl)pyridine
CID 83488601
5-bromo-1-(bromomethyl)-3-methoxy-2-(trifluoromethyl)benzene
CID 171004035
5-bromo-2-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171009395
2-bromo-4-chloro-6,7-dimethoxyquinoline
CID 139329626
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
5-chloro-4-methoxy-6-methyl-2-(trifluoromethyl)quinoline
CID 2773798
2-chloro-3-methoxy-8-(trifluoromethyl)quinoline
CID 117246675

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline?
The IUPAC name of 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline (CID 11581790) is 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline.
What is the SMILES notation for 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline?
The canonical SMILES for 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline is COc1cc(Br)cc2nc(Br)cc(C(F)(F)F)c12.
What is the InChIKey of 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline?
The InChIKey is LWSQMRZYHYVUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2F3NO/c1-18-8-3-5(12)2-7-10(8)6(11(14,15)16)4-9(13)17-7/h2-4H,1H3.
What are the key properties of 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline?
2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline has a molecular weight of 384.98 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-5-methoxy-4-(trifluoromethyl)quinoline is sourced from PubChem (CID 11581790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).