2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole

C10H5BrF4N2OS — CID 166088349

IUPAC2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(Br)nc1OCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H5BrF4N2OS/c11-7-2-1-5(12)9(17-7)18-4-8-16-3-6(19-8)10(13,14)15/h1-3H,4H2
InChIKeyXPUUNFYUNKGOOV-UHFFFAOYSA-N
MW357.13 g/mol
LogP4.04
Rot. Bonds3

About 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole

2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole (PubChem CID 166088349) has the molecular formula C10H5BrF4N2OS and a molecular weight of 357.13 g/mol. Its IUPAC name is 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
PubChem CID166088349
Molecular FormulaC10H5BrF4N2OS
Molecular Weight357.13 g/mol
Exact Mass355.92
IUPAC Name2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole
SMILESFc1ccc(Br)nc1OCc1ncc(C(F)(F)F)s1
InChIInChI=1S/C10H5BrF4N2OS/c11-7-2-1-5(12)9(17-7)18-4-8-16-3-6(19-8)10(13,14)15/h1-3H,4H2
InChIKeyXPUUNFYUNKGOOV-UHFFFAOYSA-N
XLogP4.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.13
LogP ≤ 54.04
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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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole (CID 166088349) is 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole is Fc1ccc(Br)nc1OCc1ncc(C(F)(F)F)s1.
What is the InChIKey of 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
The InChIKey is XPUUNFYUNKGOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF4N2OS/c11-7-2-1-5(12)9(17-7)18-4-8-16-3-6(19-8)10(13,14)15/h1-3H,4H2.
What are the key properties of 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole?
2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole has a molecular weight of 357.13 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-3-fluoro-2-pyridinyl)oxymethyl]-5-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166088349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).