5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine

C15H8BrF4N3O — CID 141365457

IUPAC5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine
SMILESFc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C15H8BrF4N3O/c16-10-5-9(6-12(7-10)24-15(18,19)20)13-3-4-22-23(13)11-1-2-14(17)21-8-11/h1-8H
InChIKeyCEUGOKRRUWGZBK-UHFFFAOYSA-N
MW402.15 g/mol
LogP4.73
Rot. Bonds3

About 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine

5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine (PubChem CID 141365457) has the molecular formula C15H8BrF4N3O and a molecular weight of 402.15 g/mol. Its IUPAC name is 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine
PubChem CID141365457
Molecular FormulaC15H8BrF4N3O
Molecular Weight402.15 g/mol
Exact Mass400.98
IUPAC Name5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine
SMILESFc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C15H8BrF4N3O/c16-10-5-9(6-12(7-10)24-15(18,19)20)13-3-4-22-23(13)11-1-2-14(17)21-8-11/h1-8H
InChIKeyCEUGOKRRUWGZBK-UHFFFAOYSA-N
XLogP4.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.15
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-(2-methylphenyl)-5-(trifluoromethoxy)benzene
CID 171367195
[5-[3-bromo-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazol-3-yl]-(1,3-thiazolidin-3-yl)methanone
CID 86574477
1-bromo-3-(3-methoxyphenyl)-5-(trifluoromethoxy)benzene
CID 171367488
3-(2-pyridin-3-ylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]pyridazin-4-one
CID 59370177
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
1,5-bis(4-methoxyphenyl)pyrazole
CID 57058186
1-bromo-3-phenylmethoxy-5-(trifluoromethoxy)benzene
CID 53216974
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
CID 87924536
6-bromo-1-methyl-4-[4-(trifluoromethoxy)phenyl]benzimidazole
CID 168825423
1-(3-chloro-4-fluorophenyl)-5-(3-chloro-5-fluorophenyl)pyrazole
CID 118244564
3-bromo-1-[3-(trifluoromethoxy)phenyl]-1,2,4-triazole
CID 155581393

Frequently Asked Questions

What is the IUPAC name of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine?
The IUPAC name of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine (CID 141365457) is 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine.
What is the SMILES notation for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine?
The canonical SMILES for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine is Fc1ccc(-n2nccc2-c2cc(Br)cc(OC(F)(F)F)c2)cn1.
What is the InChIKey of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine?
The InChIKey is CEUGOKRRUWGZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF4N3O/c16-10-5-9(6-12(7-10)24-15(18,19)20)13-3-4-22-23(13)11-1-2-14(17)21-8-11/h1-8H.
What are the key properties of 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine?
5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine has a molecular weight of 402.15 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3-bromo-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]-2-fluoropyridine is sourced from PubChem (CID 141365457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).