4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine

C13H14ClNS — CID 66461194

IUPAC4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
SMILESCc1cc(C(Cl)Cc2ccncc2)sc1C
InChIInChI=1S/C13H14ClNS/c1-9-7-13(16-10(9)2)12(14)8-11-3-5-15-6-4-11/h3-7,12H,8H2,1-2H3
InChIKeyKHTIOVJIMCHBDI-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.28
Rot. Bonds3

About 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine

4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine (PubChem CID 66461194) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
PubChem CID66461194
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine
SMILESCc1cc(C(Cl)Cc2ccncc2)sc1C
InChIInChI=1S/C13H14ClNS/c1-9-7-13(16-10(9)2)12(14)8-11-3-5-15-6-4-11/h3-7,12H,8H2,1-2H3
InChIKeyKHTIOVJIMCHBDI-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-chloro-2-(4,5-dibromothiophen-2-yl)ethyl]pyridine
CID 80538308
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
2-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]-1,3-benzoxazole
CID 66461542
2-bromo-5-[1-chloro-2-[4-(trifluoromethyl)phenyl]ethyl]-3-methylthiophene
CID 79996948
4-[2-chloro-2-(2,6-difluoro-3-methylphenyl)ethyl]pyridine
CID 82818631
4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
1-(4,5-dimethylthiophen-2-yl)-N-methyl-2-phenylethanamine
CID 65238920
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
CID 66459574
4-(2-chloro-2-thiophen-3-ylethyl)pyridine
CID 66461794
1-(4,5-dimethylthiophen-2-yl)-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66446198
2-bromo-5-[1-chloro-2-(3-chlorophenyl)ethyl]-3-methylthiophene
CID 79997119
1-(4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 65238266

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine?
The IUPAC name of 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine (CID 66461194) is 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine is Cc1cc(C(Cl)Cc2ccncc2)sc1C.
What is the InChIKey of 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine?
The InChIKey is KHTIOVJIMCHBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-7-13(16-10(9)2)12(14)8-11-3-5-15-6-4-11/h3-7,12H,8H2,1-2H3.
What are the key properties of 4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine?
4-[2-chloro-2-(4,5-dimethylthiophen-2-yl)ethyl]pyridine has a molecular weight of 251.78 g/mol, XLogP of 4.28, 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-(4,5-dimethylthiophen-2-yl)ethyl]pyridine is sourced from PubChem (CID 66461194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).