2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole

C7H3BrFN3S — CID 135395201

IUPAC2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
SMILESFc1nnc(-c2ccc(Br)nc2)s1
InChIInChI=1S/C7H3BrFN3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyIBZMGVPHXRNLSJ-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.50
Rot. Bonds1

About 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole

2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole (PubChem CID 135395201) has the molecular formula C7H3BrFN3S and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
PubChem CID135395201
Molecular FormulaC7H3BrFN3S
Molecular Weight260.09 g/mol
Exact Mass258.92
IUPAC Name2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
SMILESFc1nnc(-c2ccc(Br)nc2)s1
InChIInChI=1S/C7H3BrFN3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyIBZMGVPHXRNLSJ-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

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
CID 135397072
2-(2-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
CID 135396931
3,4-bis(6-bromo-3-pyridinyl)-1,2,5-thiadiazole
CID 139048756
2-iodo-5-(6-iodo-3-pyridinyl)-1,3,4-thiadiazole
CID 135394444
2-fluoro-5-pyridin-2-yl-1,3,4-thiadiazole
CID 135397065
2-methyl-5-(6-methyl-3-pyridinyl)-1,3,4-thiadiazole
CID 22899620
2-(6-bromo-3-pyridinyl)pyrimidine
CID 53486981
2-(6-methyl-3-pyridinyl)-5-phenyl-1,3,4-thiadiazole
CID 157204141
2-(6-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 135395773
5-(5-chloro-1,3,4-thiadiazol-2-yl)pyridin-2-amine
CID 135396794
5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
2,4,6-tris(6-bromo-3-pyridinyl)pyridine
CID 153292173

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole?
The IUPAC name of 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole (CID 135395201) is 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole is Fc1nnc(-c2ccc(Br)nc2)s1.
What is the InChIKey of 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole?
The InChIKey is IBZMGVPHXRNLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H.
What are the key properties of 2-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole?
2-(6-bromo-3-pyridinyl)-5-fluoro-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-(6-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole is sourced from PubChem (CID 135395201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).