4-(2-chloro-2-thiophen-3-ylethyl)pyridine

C11H10ClNS — CID 66461794

IUPAC4-(2-chloro-2-thiophen-3-ylethyl)pyridine
SMILESClC(Cc1ccncc1)c1ccsc1
InChIInChI=1S/C11H10ClNS/c12-11(10-3-6-14-8-10)7-9-1-4-13-5-2-9/h1-6,8,11H,7H2
InChIKeyUDNWQRBLWOTAGM-UHFFFAOYSA-N
MW223.73 g/mol
LogP3.67
Rot. Bonds3

About 4-(2-chloro-2-thiophen-3-ylethyl)pyridine

4-(2-chloro-2-thiophen-3-ylethyl)pyridine (PubChem CID 66461794) has the molecular formula C11H10ClNS and a molecular weight of 223.73 g/mol. Its IUPAC name is 4-(2-chloro-2-thiophen-3-ylethyl)pyridine.

Molecular Properties

Compound Name4-(2-chloro-2-thiophen-3-ylethyl)pyridine
PubChem CID66461794
Molecular FormulaC11H10ClNS
Molecular Weight223.73 g/mol
Exact Mass223.02
IUPAC Name4-(2-chloro-2-thiophen-3-ylethyl)pyridine
SMILESClC(Cc1ccncc1)c1ccsc1
InChIInChI=1S/C11H10ClNS/c12-11(10-3-6-14-8-10)7-9-1-4-13-5-2-9/h1-6,8,11H,7H2
InChIKeyUDNWQRBLWOTAGM-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.73
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[1-chloro-2-(3,4-dimethylphenyl)ethyl]thiophene
CID 63520389
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
4-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66460593
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
CID 63016253
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
4-[2-chloro-2-(3-methoxythiophen-2-yl)ethyl]pyridine
CID 81140116
4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
CID 66461797
2-[bis(2-pyridin-4-ylethyl)amino]-2-thiophen-3-ylacetamide
CID 142792696

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-2-thiophen-3-ylethyl)pyridine?
The IUPAC name of 4-(2-chloro-2-thiophen-3-ylethyl)pyridine (CID 66461794) is 4-(2-chloro-2-thiophen-3-ylethyl)pyridine.
What is the SMILES notation for 4-(2-chloro-2-thiophen-3-ylethyl)pyridine?
The canonical SMILES for 4-(2-chloro-2-thiophen-3-ylethyl)pyridine is ClC(Cc1ccncc1)c1ccsc1.
What is the InChIKey of 4-(2-chloro-2-thiophen-3-ylethyl)pyridine?
The InChIKey is UDNWQRBLWOTAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNS/c12-11(10-3-6-14-8-10)7-9-1-4-13-5-2-9/h1-6,8,11H,7H2.
What are the key properties of 4-(2-chloro-2-thiophen-3-ylethyl)pyridine?
4-(2-chloro-2-thiophen-3-ylethyl)pyridine has a molecular weight of 223.73 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-2-thiophen-3-ylethyl)pyridine is sourced from PubChem (CID 66461794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).