4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine

C17H20ClN — CID 66459574

IUPAC4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
SMILESCC(C)(C)c1ccc(C(Cl)Cc2ccncc2)cc1
InChIInChI=1S/C17H20ClN/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h4-11,16H,12H2,1-3H3
InChIKeyLKQSUEGNRJSXQH-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.90
Rot. Bonds3

About 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine

4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine (PubChem CID 66459574) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
PubChem CID66459574
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine
SMILESCC(C)(C)c1ccc(C(Cl)Cc2ccncc2)cc1
InChIInChI=1S/C17H20ClN/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h4-11,16H,12H2,1-3H3
InChIKeyLKQSUEGNRJSXQH-UHFFFAOYSA-N
XLogP4.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(4-methylphenyl)ethyl]pyridine
CID 63016107
2-[1-(4-tert-butylphenyl)-2-pyridin-4-ylethyl]guanidine
CID 10424667
4-[1-chloro-2-(4-methoxyphenyl)ethyl]pyridine
CID 63016470
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-(trifluoromethyl)benzene
CID 63431717
4-(2-chloro-2-thiophen-3-ylethyl)pyridine
CID 66461794
4-[2-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine
CID 66461797
4-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]pyridine
CID 107958110
1-tert-butyl-4-(1-chloro-3,4,4-trimethylpentyl)benzene
CID 63833834
tetrakis(4-tert-butylpyridine);bis(molybdenum(2+));tetrachloride
CID 139134561
1-chloro-4-[1-chloro-2-(4-chlorophenyl)ethyl]benzene
CID 529342
2-(4-tert-butylphenyl)-2-chloro-N,N-diethylethanamine
CID 82214707
4-[2-[4-(2-methylpropyl)phenyl]propan-2-yl]pyridine
CID 154718340

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine (CID 66459574) is 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine is CC(C)(C)c1ccc(C(Cl)Cc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine?
The InChIKey is LKQSUEGNRJSXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-17(2,3)15-6-4-14(5-7-15)16(18)12-13-8-10-19-11-9-13/h4-11,16H,12H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine?
4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine has a molecular weight of 273.81 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)-2-chloroethyl]pyridine is sourced from PubChem (CID 66459574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).