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

C10H7BrF2N2OS — CID 166087876

IUPAC2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1cnc(COc2cccc(Br)n2)s1
InChIInChI=1S/C10H7BrF2N2OS/c11-7-2-1-3-8(15-7)16-5-9-14-4-6(17-9)10(12)13/h1-4,10H,5H2
InChIKeyXZFDBSKUEBSFAQ-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.82
Rot. Bonds4

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

2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole (PubChem CID 166087876) has the molecular formula C10H7BrF2N2OS and a molecular weight of 321.15 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
PubChem CID166087876
Molecular FormulaC10H7BrF2N2OS
Molecular Weight321.15 g/mol
Exact Mass319.94
IUPAC Name2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole
SMILESFC(F)c1cnc(COc2cccc(Br)n2)s1
InChIInChI=1S/C10H7BrF2N2OS/c11-7-2-1-3-8(15-7)16-5-9-14-4-6(17-9)10(12)13/h1-4,10H,5H2
InChIKeyXZFDBSKUEBSFAQ-UHFFFAOYSA-N
XLogP3.82
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.82
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-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole (CID 166087876) is 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole is FC(F)c1cnc(COc2cccc(Br)n2)s1.
What is the InChIKey of 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole?
The InChIKey is XZFDBSKUEBSFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2N2OS/c11-7-2-1-3-8(15-7)16-5-9-14-4-6(17-9)10(12)13/h1-4,10H,5H2.
What are the key properties of 2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole?
2-[(6-bromo-2-pyridinyl)oxymethyl]-5-(difluoromethyl)-1,3-thiazole has a molecular weight of 321.15 g/mol, XLogP of 3.82, 4 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]-5-(difluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166087876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).