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

C7H3ClFN3S — CID 104739168

IUPAC3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
SMILESFc1cnccc1-c1nsnc1Cl
InChIInChI=1S/C7H3ClFN3S/c8-7-6(11-13-12-7)4-1-2-10-3-5(4)9/h1-3H
InChIKeyOAFIULCNZGDOQI-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.39
Rot. Bonds1

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

3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole (PubChem CID 104739168) has the molecular formula C7H3ClFN3S and a molecular weight of 215.64 g/mol. Its IUPAC name is 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
PubChem CID104739168
Molecular FormulaC7H3ClFN3S
Molecular Weight215.64 g/mol
Exact Mass214.97
IUPAC Name3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
SMILESFc1cnccc1-c1nsnc1Cl
InChIInChI=1S/C7H3ClFN3S/c8-7-6(11-13-12-7)4-1-2-10-3-5(4)9/h1-3H
InChIKeyOAFIULCNZGDOQI-UHFFFAOYSA-N
XLogP2.39
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole?
The IUPAC name of 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole (CID 104739168) is 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole.
What is the SMILES notation for 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole?
The canonical SMILES for 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole is Fc1cnccc1-c1nsnc1Cl.
What is the InChIKey of 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole?
The InChIKey is OAFIULCNZGDOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3S/c8-7-6(11-13-12-7)4-1-2-10-3-5(4)9/h1-3H.
What are the key properties of 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole?
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole has a molecular weight of 215.64 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole is sourced from PubChem (CID 104739168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).