3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C10H6ClN3S — CID 67940412

IUPAC3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccsc1-c1nnc2ccccn12
InChIInChI=1S/C10H6ClN3S/c11-7-4-6-15-9(7)10-13-12-8-3-1-2-5-14(8)10/h1-6H
InChIKeyFQUKLLWPNHZCOE-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.11
Rot. Bonds1

About 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 67940412) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID67940412
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccsc1-c1nnc2ccccn12
InChIInChI=1S/C10H6ClN3S/c11-7-4-6-15-9(7)10-13-12-8-3-1-2-5-14(8)10/h1-6H
InChIKeyFQUKLLWPNHZCOE-UHFFFAOYSA-N
XLogP3.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 67940412) is 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccsc1-c1nnc2ccccn12.
What is the InChIKey of 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FQUKLLWPNHZCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-7-4-6-15-9(7)10-13-12-8-3-1-2-5-14(8)10/h1-6H.
What are the key properties of 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 235.70 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 67940412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).