2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine

C16H17Cl2NO — CID 63446144

IUPAC2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
SMILESCC(C)(C)c1ccccc1Oc1ncc(CCl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-15-13(18)8-11(9-17)10-19-15/h4-8,10H,9H2,1-3H3
InChIKeyYWOHLIKSZYVULJ-UHFFFAOYSA-N
MW310.22 g/mol
LogP5.56
Rot. Bonds3

About 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine

2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine (PubChem CID 63446144) has the molecular formula C16H17Cl2NO and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
PubChem CID63446144
Molecular FormulaC16H17Cl2NO
Molecular Weight310.22 g/mol
Exact Mass309.07
IUPAC Name2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine
SMILESCC(C)(C)c1ccccc1Oc1ncc(CCl)cc1Cl
InChIInChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-15-13(18)8-11(9-17)10-19-15/h4-8,10H,9H2,1-3H3
InChIKeyYWOHLIKSZYVULJ-UHFFFAOYSA-N
XLogP5.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.22
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine?
The IUPAC name of 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine (CID 63446144) is 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine is CC(C)(C)c1ccccc1Oc1ncc(CCl)cc1Cl.
What is the InChIKey of 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine?
The InChIKey is YWOHLIKSZYVULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO/c1-16(2,3)12-6-4-5-7-14(12)20-15-13(18)8-11(9-17)10-19-15/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine?
2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine has a molecular weight of 310.22 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-3-chloro-5-(chloromethyl)pyridine is sourced from PubChem (CID 63446144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).