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

C7H3FIN3S — CID 135397072

IUPAC2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(I)s2)cn1
InChIInChI=1S/C7H3FIN3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyOLALETZYXCTPAT-UHFFFAOYSA-N
MW307.09 g/mol
LogP2.34
Rot. Bonds1

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

2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole (PubChem CID 135397072) has the molecular formula C7H3FIN3S and a molecular weight of 307.09 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
PubChem CID135397072
Molecular FormulaC7H3FIN3S
Molecular Weight307.09 g/mol
Exact Mass306.91
IUPAC Name2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(I)s2)cn1
InChIInChI=1S/C7H3FIN3S/c8-5-2-1-4(3-10-5)6-11-12-7(9)13-6/h1-3H
InChIKeyOLALETZYXCTPAT-UHFFFAOYSA-N
XLogP2.34
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole (CID 135397072) is 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole is Fc1ccc(-c2nnc(I)s2)cn1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is OLALETZYXCTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3FIN3S/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-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole?
2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 307.09 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 135397072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).