2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole

C10H6BrF3N2OS — CID 166088216

IUPAC2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(COc2cccc(Br)n2)n1
InChIInChI=1S/C10H6BrF3N2OS/c11-7-2-1-3-8(16-7)17-4-9-15-6(5-18-9)10(12,13)14/h1-3,5H,4H2
InChIKeyBVUUCOWVRQZDSN-UHFFFAOYSA-N
MW339.14 g/mol
LogP3.90
Rot. Bonds3

About 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole

2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166088216) has the molecular formula C10H6BrF3N2OS and a molecular weight of 339.14 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166088216
Molecular FormulaC10H6BrF3N2OS
Molecular Weight339.14 g/mol
Exact Mass337.93
IUPAC Name2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(COc2cccc(Br)n2)n1
InChIInChI=1S/C10H6BrF3N2OS/c11-7-2-1-3-8(16-7)17-4-9-15-6(5-18-9)10(12,13)14/h1-3,5H,4H2
InChIKeyBVUUCOWVRQZDSN-UHFFFAOYSA-N
XLogP3.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.14
LogP ≤ 53.90
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

3-[(6-bromo-2-pyridinyl)oxymethyl]-6-(trifluoromethyl)pyridazine
CID 166089056
2-(bromomethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 67357137
2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
CID 166087876
2-bromo-6-[(4-bromophenyl)methoxy]pyridine
CID 82824913
2-[(4-tert-butyl-2-chlorophenoxy)methyl]-4-(trifluoromethyl)-1,3-thiazole
CID 170931448
2-(chloromethyl)-4-(trifluoromethyl)-1,3-thiazole
CID 62921994
2-[(5-chlorothiophen-2-yl)methoxy]-6-(trifluoromethyl)pyridine
CID 75427115
2-bromo-6-[2-[2-[(6-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]pyridine
CID 11177547
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-tert-butyl-1,3-thiazole
CID 103816184
4-tert-butyl-2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1,3-thiazole
CID 115956684
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
CID 19366333
2-bromo-6-[(2-fluoro-4-isocyanophenyl)methoxy]pyridine
CID 155612962

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole (CID 166088216) is 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(COc2cccc(Br)n2)n1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is BVUUCOWVRQZDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2OS/c11-7-2-1-3-8(16-7)17-4-9-15-6(5-18-9)10(12,13)14/h1-3,5H,4H2.
What are the key properties of 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole?
2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 339.14 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridinyl)oxymethyl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166088216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).