4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine

C9H9Cl2NS — CID 71199545

IUPAC4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESClc1cc(C2=CCNCC2)c(Cl)s1
InChIInChI=1S/C9H9Cl2NS/c10-8-5-7(9(11)13-8)6-1-3-12-4-2-6/h1,5,12H,2-4H2
InChIKeyKNOXXESGSAIPII-UHFFFAOYSA-N
MW234.15 g/mol
LogP3.43
Rot. Bonds1

About 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine

4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 71199545) has the molecular formula C9H9Cl2NS and a molecular weight of 234.15 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine
PubChem CID71199545
Molecular FormulaC9H9Cl2NS
Molecular Weight234.15 g/mol
Exact Mass232.98
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine
SMILESClc1cc(C2=CCNCC2)c(Cl)s1
InChIInChI=1S/C9H9Cl2NS/c10-8-5-7(9(11)13-8)6-1-3-12-4-2-6/h1,5,12H,2-4H2
InChIKeyKNOXXESGSAIPII-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.15
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine (CID 71199545) is 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine is Clc1cc(C2=CCNCC2)c(Cl)s1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is KNOXXESGSAIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NS/c10-8-5-7(9(11)13-8)6-1-3-12-4-2-6/h1,5,12H,2-4H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine?
4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 234.15 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 71199545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).