5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole

C9H4BrF3N2S — CID 106784270

IUPAC5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(-c2cccc(Br)n2)s1
InChIInChI=1S/C9H4BrF3N2S/c10-7-3-1-2-5(15-7)6-4-14-8(16-6)9(11,12)13/h1-4H
InChIKeyUKYJTLDOSASHBZ-UHFFFAOYSA-N
MW309.11 g/mol
LogP3.99
Rot. Bonds1

About 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole

5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784270) has the molecular formula C9H4BrF3N2S and a molecular weight of 309.11 g/mol. Its IUPAC name is 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784270
Molecular FormulaC9H4BrF3N2S
Molecular Weight309.11 g/mol
Exact Mass307.92
IUPAC Name5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(-c2cccc(Br)n2)s1
InChIInChI=1S/C9H4BrF3N2S/c10-7-3-1-2-5(15-7)6-4-14-8(16-6)9(11,12)13/h1-4H
InChIKeyUKYJTLDOSASHBZ-UHFFFAOYSA-N
XLogP3.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyrimidin-4-amine
CID 106784394
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-2-(trifluoromethyl)-1,3-thiazole
CID 106784301
(2-bromo-3-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanol
CID 107985902
2-bromo-5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]benzoic acid
CID 114026517
3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pyridin-2-amine
CID 106783896
[2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenyl]methanamine
CID 106783883
2-methoxy-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]phenol
CID 106784585
2-propan-2-yl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidine-4-thione
CID 106787677
8-[2-(trifluoromethyl)-1,3-thiazol-5-yl]quinazolin-4-amine
CID 175958236
5-[2-(trifluoromethyl)-1,3-thiazol-5-yl]-1H-pyrimidin-6-one
CID 106787601
[3-[2-(trifluoromethyl)-1,3-thiazol-5-yl]thiophen-2-yl]methanamine
CID 106783886
1-(2-iodophenyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106785216

Frequently Asked Questions

What is the IUPAC name of 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784270) is 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(-c2cccc(Br)n2)s1.
What is the InChIKey of 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is UKYJTLDOSASHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2S/c10-7-3-1-2-5(15-7)6-4-14-8(16-6)9(11,12)13/h1-4H.
What are the key properties of 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole?
5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 309.11 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromo-2-pyridinyl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).