2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole

C7H3Cl2N3S — CID 176885351

IUPAC2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole
SMILESClc1cc(Cl)c(-c2nncs2)cn1
InChIInChI=1S/C7H3Cl2N3S/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H
InChIKeyPFDHTTDMSQCNTE-UHFFFAOYSA-N
MW232.10 g/mol
LogP2.91
Rot. Bonds1

About 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole

2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 176885351) has the molecular formula C7H3Cl2N3S and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID176885351
Molecular FormulaC7H3Cl2N3S
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole
SMILESClc1cc(Cl)c(-c2nncs2)cn1
InChIInChI=1S/C7H3Cl2N3S/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H
InChIKeyPFDHTTDMSQCNTE-UHFFFAOYSA-N
XLogP2.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole (CID 176885351) is 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole is Clc1cc(Cl)c(-c2nncs2)cn1.
What is the InChIKey of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is PFDHTTDMSQCNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3S/c8-5-1-6(9)10-2-4(5)7-12-11-3-13-7/h1-3H.
What are the key properties of 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole?
2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 232.10 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 176885351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).