5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine

C9H10ClNS — CID 130506722

IUPAC5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine
SMILESClc1ccc(C2=CCCNC2)s1
InChIInChI=1S/C9H10ClNS/c10-9-4-3-8(12-9)7-2-1-5-11-6-7/h2-4,11H,1,5-6H2
InChIKeyUEBJDHZNRSUXQS-UHFFFAOYSA-N
MW199.71 g/mol
LogP2.78
Rot. Bonds1

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

5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine (PubChem CID 130506722) has the molecular formula C9H10ClNS and a molecular weight of 199.71 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine
PubChem CID130506722
Molecular FormulaC9H10ClNS
Molecular Weight199.71 g/mol
Exact Mass199.02
IUPAC Name5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine
SMILESClc1ccc(C2=CCCNC2)s1
InChIInChI=1S/C9H10ClNS/c10-9-4-3-8(12-9)7-2-1-5-11-6-7/h2-4,11H,1,5-6H2
InChIKeyUEBJDHZNRSUXQS-UHFFFAOYSA-N
XLogP2.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.71
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chlorothiophen-2-yl)-1,2-dihydropyrrol-5-one
CID 11117050
3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
CID 130949274
5-(furan-3-yl)-1,2,3,6-tetrahydropyridine
CID 130506685
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2,5-thiadiazole
CID 19705379
5-(furan-2-yl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 119031101
3-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-benzothiazole
CID 168995047
(E)-N,3-dimethyl-2-(1,2-thiazol-5-yl)pent-2-en-1-amine;5-(1,2,3,6-tetrahydropyridin-5-yl)-1,2-thiazole
CID 178037080
2-fluoro-5-(1,2,3,6-tetrahydropyridin-5-yl)aniline
CID 167902971
3-fluoro-4-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 130506741
5-propan-2-yl-2-(1,2,3,6-tetrahydropyridin-5-yl)pyridine
CID 176586744
6-(1,2,3,6-tetrahydropyridin-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747473
(4E,6E)-5-methyl-7-(5-methylthiophen-2-yl)-1,2,3,8-tetrahydroazocin-4-amine
CID 142892002

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine (CID 130506722) is 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine is Clc1ccc(C2=CCCNC2)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine?
The InChIKey is UEBJDHZNRSUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNS/c10-9-4-3-8(12-9)7-2-1-5-11-6-7/h2-4,11H,1,5-6H2.
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine?
5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine has a molecular weight of 199.71 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 130506722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).