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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Related Compounds

3-propoxy-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 174364537
3-pyridin-3-yl-4-[2-[2-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxy]ethoxy]ethoxy]-1,2,5-thiadiazole
CID 10928093
3-chloro-4-(3-fluoro-4-pyridinyl)-1,2,5-thiadiazole
CID 104739168
3-pyridin-3-yl-4-(3-thiophen-2-ylpropylsulfanyl)-1,2,5-thiadiazole
CID 10663447
3-(cyclopropylmethoxy)-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075239
3-chloro-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide
CID 50742334
3-but-1-enoxy-4-pyridin-3-yl-1,2,5-thiadiazole
CID 139697051
cyclopenta[c]azepine
CID 638010
5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine
CID 175455696
3-pyridin-3-yl-4-(6,6,6-trifluorohexan-3-yloxy)-1,2,5-thiadiazole
CID 57128366
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;methane;bis(3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-4-[[4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole);3-(1-methylpyridin-1-ium-3-yl)-4-[[4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazol-3-yl]oxymethoxy]-1,2,5-thiadiazole;3-pyridin-3-yl-4-[(4-pyridin-3-yl-1,2,5-thiadiazol-3-yl)oxymethoxy]-1,2,5-thiadiazole
CID 161247157
4-pyridin-3-yl-1,2,5-thiadiazol-3-one
CID 70007227

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).