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

C7H4FN3S — CID 137347251

IUPAC2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ncccc1-c1nncs1
InChIInChI=1S/C7H4FN3S/c8-6-5(2-1-3-9-6)7-11-10-4-12-7/h1-4H
InChIKeyPBXQPEUHWBAJOO-UHFFFAOYSA-N
MW181.20 g/mol
LogP1.74
Rot. Bonds1

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

2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 137347251) has the molecular formula C7H4FN3S and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID137347251
Molecular FormulaC7H4FN3S
Molecular Weight181.20 g/mol
Exact Mass181.01
IUPAC Name2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ncccc1-c1nncs1
InChIInChI=1S/C7H4FN3S/c8-6-5(2-1-3-9-6)7-11-10-4-12-7/h1-4H
InChIKeyPBXQPEUHWBAJOO-UHFFFAOYSA-N
XLogP1.74
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 51.74
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-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole (CID 137347251) is 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole is Fc1ncccc1-c1nncs1.
What is the InChIKey of 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is PBXQPEUHWBAJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN3S/c8-6-5(2-1-3-9-6)7-11-10-4-12-7/h1-4H.
What are the key properties of 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole?
2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 181.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 137347251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).