3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine

C12H9ClN4S — CID 160628601

IUPAC3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
SMILESClc1nsnc1-c1cccnc1.c1ccncc1
InChIInChI=1S/C7H4ClN3S.C5H5N/c8-7-6(10-12-11-7)5-2-1-3-9-4-5;1-2-4-6-5-3-1/h1-4H;1-5H
InChIKeyRHQALZROIVUTDV-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.34
Rot. Bonds1

About 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine

3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine (PubChem CID 160628601) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine.

Molecular Properties

Compound Name3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
PubChem CID160628601
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
SMILESClc1nsnc1-c1cccnc1.c1ccncc1
InChIInChI=1S/C7H4ClN3S.C5H5N/c8-7-6(10-12-11-7)5-2-1-3-9-4-5;1-2-4-6-5-3-1/h1-4H;1-5H
InChIKeyRHQALZROIVUTDV-UHFFFAOYSA-N
XLogP3.34
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The IUPAC name of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine (CID 160628601) is 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine.
What is the SMILES notation for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The canonical SMILES for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine is Clc1nsnc1-c1cccnc1.c1ccncc1.
What is the InChIKey of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
The InChIKey is RHQALZROIVUTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3S.C5H5N/c8-7-6(10-12-11-7)5-2-1-3-9-4-5;1-2-4-6-5-3-1/h1-4H;1-5H.
What are the key properties of 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine?
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine has a molecular weight of 276.75 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine is sourced from PubChem (CID 160628601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).