2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole

C8H4BrFN2S — CID 112623637

IUPAC2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(Br)n2)nc1
InChIInChI=1S/C8H4BrFN2S/c9-8-12-7(4-13-8)6-2-1-5(10)3-11-6/h1-4H
InChIKeyUKQSKAUIMHKQMR-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.11
Rot. Bonds1

About 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole

2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole (PubChem CID 112623637) has the molecular formula C8H4BrFN2S and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
PubChem CID112623637
Molecular FormulaC8H4BrFN2S
Molecular Weight259.10 g/mol
Exact Mass257.93
IUPAC Name2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole
SMILESFc1ccc(-c2csc(Br)n2)nc1
InChIInChI=1S/C8H4BrFN2S/c9-8-12-7(4-13-8)6-2-1-5(10)3-11-6/h1-4H
InChIKeyUKQSKAUIMHKQMR-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole (CID 112623637) is 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole is Fc1ccc(-c2csc(Br)n2)nc1.
What is the InChIKey of 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole?
The InChIKey is UKQSKAUIMHKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrFN2S/c9-8-12-7(4-13-8)6-2-1-5(10)3-11-6/h1-4H.
What are the key properties of 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole?
2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole has a molecular weight of 259.10 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(5-fluoro-2-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 112623637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).