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

C7H3ClFN3S — CID 104643074

IUPAC2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(Cl)s2)nc1
InChIInChI=1S/C7H3ClFN3S/c8-7-12-11-6(13-7)5-2-1-4(9)3-10-5/h1-3H
InChIKeySKNBSUXMRZTRKQ-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.39
Rot. Bonds1

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

2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole (PubChem CID 104643074) has the molecular formula C7H3ClFN3S and a molecular weight of 215.64 g/mol. Its IUPAC name is 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole
PubChem CID104643074
Molecular FormulaC7H3ClFN3S
Molecular Weight215.64 g/mol
Exact Mass214.97
IUPAC Name2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole
SMILESFc1ccc(-c2nnc(Cl)s2)nc1
InChIInChI=1S/C7H3ClFN3S/c8-7-12-11-6(13-7)5-2-1-4(9)3-10-5/h1-3H
InChIKeySKNBSUXMRZTRKQ-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 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole (CID 104643074) is 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole is Fc1ccc(-c2nnc(Cl)s2)nc1.
What is the InChIKey of 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is SKNBSUXMRZTRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClFN3S/c8-7-12-11-6(13-7)5-2-1-4(9)3-10-5/h1-3H.
What are the key properties of 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole?
2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-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 2-chloro-5-(5-fluoro-2-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 104643074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).