6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine

C17H19Cl2NO — CID 63446405

IUPAC6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
SMILESCc1ccc(Oc2ccc(Cl)c(CCl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-5-7-15(12(9-11)17(2,3)4)21-16-8-6-13(19)14(10-18)20-16/h5-9H,10H2,1-4H3
InChIKeyUGIHYOSOOVFODN-UHFFFAOYSA-N
MW324.25 g/mol
LogP5.87
Rot. Bonds3

About 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine

6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine (PubChem CID 63446405) has the molecular formula C17H19Cl2NO and a molecular weight of 324.25 g/mol. Its IUPAC name is 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine.

Molecular Properties

Compound Name6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
PubChem CID63446405
Molecular FormulaC17H19Cl2NO
Molecular Weight324.25 g/mol
Exact Mass323.08
IUPAC Name6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine
SMILESCc1ccc(Oc2ccc(Cl)c(CCl)n2)c(C(C)(C)C)c1
InChIInChI=1S/C17H19Cl2NO/c1-11-5-7-15(12(9-11)17(2,3)4)21-16-8-6-13(19)14(10-18)20-16/h5-9H,10H2,1-4H3
InChIKeyUGIHYOSOOVFODN-UHFFFAOYSA-N
XLogP5.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.25
LogP ≤ 55.87
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

6-(3-tert-butylphenoxy)-3-chloro-2-(chloromethyl)pyridine
CID 63446809
3-chloro-2-(chloromethyl)-6-(2,3-dimethylphenoxy)pyridine
CID 63446192
3-chloro-2-(chloromethyl)-6-(3,4-dichlorophenoxy)pyridine
CID 63446768
1-[6-(2-bromo-4-methylphenoxy)-3-chloro-2-pyridinyl]-N-methylmethanamine
CID 62322384
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
3-chloro-2-(chloromethyl)-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]pyridine
CID 106597658
5-bromo-2-(2-tert-butyl-4-methylphenoxy)pyridine
CID 63463834
2-(2-tert-butyl-4-methylphenoxy)-5-(chloromethyl)-1,3,4-thiadiazole
CID 80618233
4-(2-tert-butyl-4-methylphenoxy)-3,5-dichloroaniline
CID 106890935
3-chloro-2-(chloromethyl)-6-(2-fluorophenoxy)pyridine
CID 61267319
3-chloro-2-(chloromethyl)-6-(2-propoxyphenoxy)pyridine
CID 61268786
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine?
The IUPAC name of 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine (CID 63446405) is 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine.
What is the SMILES notation for 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine?
The canonical SMILES for 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine is Cc1ccc(Oc2ccc(Cl)c(CCl)n2)c(C(C)(C)C)c1.
What is the InChIKey of 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine?
The InChIKey is UGIHYOSOOVFODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO/c1-11-5-7-15(12(9-11)17(2,3)4)21-16-8-6-13(19)14(10-18)20-16/h5-9H,10H2,1-4H3.
What are the key properties of 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine?
6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine has a molecular weight of 324.25 g/mol, XLogP of 5.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butyl-4-methylphenoxy)-3-chloro-2-(chloromethyl)pyridine is sourced from PubChem (CID 63446405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).