2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine

C13H14ClNS — CID 66460200

IUPAC2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)s1
InChIInChI=1S/C13H14ClNS/c1-9-4-3-7-15-12(9)8-11(14)13-6-5-10(2)16-13/h3-7,11H,8H2,1-2H3
InChIKeyAVKHXKVGXSLEKI-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.28
Rot. Bonds3

About 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine

2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine (PubChem CID 66460200) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
PubChem CID66460200
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine
SMILESCc1ccc(C(Cl)Cc2ncccc2C)s1
InChIInChI=1S/C13H14ClNS/c1-9-4-3-7-15-12(9)8-11(14)13-6-5-10(2)16-13/h3-7,11H,8H2,1-2H3
InChIKeyAVKHXKVGXSLEKI-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'}

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Related Compounds

2-[2-chloro-2-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]-3-methylpyridine
CID 66459996
2-[2-chloro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]-3-methylpyridine
CID 66460997
2-[2-chloro-2-(furan-2-yl)ethyl]-3-methylpyridine
CID 66460598
2-[2-chloro-2-(2,4-dimethylphenyl)ethyl]-3-methylpyridine
CID 66460202
2-[2-chloro-2-(3-chloro-4-methylphenyl)ethyl]-3-methylpyridine
CID 66458987
2-[2-chloro-2-(2-chlorofuran-3-yl)ethyl]-3-methylpyridine
CID 106690733
N-[(3-methyl-2-pyridinyl)methyl]-1-(5-methylthiophen-2-yl)propan-2-amine
CID 112650189
2-[2-(3-bromo-2-methylphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459993
2-[2-chloro-2-(3-chloro-5-methylphenyl)ethyl]-3-methylpyridine
CID 81324998
1-(5-bromothiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanamine
CID 66449000
2-[2-(4-butoxyphenyl)-2-chloroethyl]-3-methylpyridine
CID 66459992
2-[2-(2-bromo-4-chlorophenyl)-2-chloroethyl]-3-methylpyridine
CID 107995639

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine?
The IUPAC name of 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine (CID 66460200) is 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine.
What is the SMILES notation for 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine?
The canonical SMILES for 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine is Cc1ccc(C(Cl)Cc2ncccc2C)s1.
What is the InChIKey of 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine?
The InChIKey is AVKHXKVGXSLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-9-4-3-7-15-12(9)8-11(14)13-6-5-10(2)16-13/h3-7,11H,8H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine?
2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine 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 2-[2-chloro-2-(5-methylthiophen-2-yl)ethyl]-3-methylpyridine is sourced from PubChem (CID 66460200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).