6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine

C13H8BrF4NO — CID 166089135

IUPAC6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFc1ccc(Br)nc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8BrF4NO/c14-11-6-5-10(15)12(19-11)20-7-8-1-3-9(4-2-8)13(16,17)18/h1-6H,7H2
InChIKeyARJSQJNFAQCJOK-UHFFFAOYSA-N
MW350.11 g/mol
LogP4.58
Rot. Bonds3

About 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine

6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine (PubChem CID 166089135) has the molecular formula C13H8BrF4NO and a molecular weight of 350.11 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
PubChem CID166089135
Molecular FormulaC13H8BrF4NO
Molecular Weight350.11 g/mol
Exact Mass348.97
IUPAC Name6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
SMILESFc1ccc(Br)nc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8BrF4NO/c14-11-6-5-10(15)12(19-11)20-7-8-1-3-9(4-2-8)13(16,17)18/h1-6H,7H2
InChIKeyARJSQJNFAQCJOK-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.11
LogP ≤ 54.58
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

2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
CID 166088349
3-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 167152492
5-bromo-6-[(4-fluorophenyl)methoxy]-3-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 21089821
2-[(6-bromo-3-fluoro-2-pyridinyl)oxy]acetic acid;ethane
CID 170702490
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
3-bromo-5-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]aniline
CID 63404252
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
CID 134106459
[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 19261601

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The IUPAC name of 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine (CID 166089135) is 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The canonical SMILES for 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine is Fc1ccc(Br)nc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
The InChIKey is ARJSQJNFAQCJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF4NO/c14-11-6-5-10(15)12(19-11)20-7-8-1-3-9(4-2-8)13(16,17)18/h1-6H,7H2.
What are the key properties of 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine?
6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine has a molecular weight of 350.11 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine is sourced from PubChem (CID 166089135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).