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

C7H3BrFN3S — CID 135394109

IUPAC2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ccnc(-c2nnc(Br)s2)c1
InChIInChI=1S/C7H3BrFN3S/c8-7-12-11-6(13-7)5-3-4(9)1-2-10-5/h1-3H
InChIKeyTYVDOJCCHICCHI-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.50
Rot. Bonds1

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

2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole (PubChem CID 135394109) has the molecular formula C7H3BrFN3S and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole
PubChem CID135394109
Molecular FormulaC7H3BrFN3S
Molecular Weight260.09 g/mol
Exact Mass258.92
IUPAC Name2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ccnc(-c2nnc(Br)s2)c1
InChIInChI=1S/C7H3BrFN3S/c8-7-12-11-6(13-7)5-3-4(9)1-2-10-5/h1-3H
InChIKeyTYVDOJCCHICCHI-UHFFFAOYSA-N
XLogP2.50
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499
4-fluoro-2-[5-(4-fluoro-2-pyridinyl)-1H-pyrrol-2-yl]pyridine
CID 58672263
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-thiadiazole
CID 59525067
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
2-bromo-5-(4-chloro-2-fluorophenyl)-1,3,4-thiadiazole
CID 63383605
ethane;2-(4-fluoro-2-pyridinyl)-4-methylpyridine
CID 170630343
2-(2,4-dimethylphenyl)-4-fluoropyridine
CID 102824457
2-(3-bromo-2,4-dimethoxyphenyl)-4-fluoropyridine
CID 103523994
2-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 164673721
3-(4-fluoro-2-pyridinyl)-5-methylpyridine
CID 102824529
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole (CID 135394109) is 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole is Fc1ccnc(-c2nnc(Br)s2)c1.
What is the InChIKey of 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is TYVDOJCCHICCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3S/c8-7-12-11-6(13-7)5-3-4(9)1-2-10-5/h1-3H.
What are the key properties of 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 260.09 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(4-fluoro-2-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 135394109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).