4-(4-tert-butylphenoxy)-2-chloropyridine

C15H16ClNO — CID 63777784

IUPAC4-(4-tert-butylphenoxy)-2-chloropyridine
SMILESCC(C)(C)c1ccc(Oc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-15(2,3)11-4-6-12(7-5-11)18-13-8-9-17-14(16)10-13/h4-10H,1-3H3
InChIKeyKFNYWQXVDXHRRP-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.82
Rot. Bonds2

About 4-(4-tert-butylphenoxy)-2-chloropyridine

4-(4-tert-butylphenoxy)-2-chloropyridine (PubChem CID 63777784) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-2-chloropyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-2-chloropyridine
PubChem CID63777784
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name4-(4-tert-butylphenoxy)-2-chloropyridine
SMILESCC(C)(C)c1ccc(Oc2ccnc(Cl)c2)cc1
InChIInChI=1S/C15H16ClNO/c1-15(2,3)11-4-6-12(7-5-11)18-13-8-9-17-14(16)10-13/h4-10H,1-3H3
InChIKeyKFNYWQXVDXHRRP-UHFFFAOYSA-N
XLogP4.82
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylphenoxy)-2-chloropyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-2-chloropyridine?
The IUPAC name of 4-(4-tert-butylphenoxy)-2-chloropyridine (CID 63777784) is 4-(4-tert-butylphenoxy)-2-chloropyridine.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-2-chloropyridine?
The canonical SMILES for 4-(4-tert-butylphenoxy)-2-chloropyridine is CC(C)(C)c1ccc(Oc2ccnc(Cl)c2)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-2-chloropyridine?
The InChIKey is KFNYWQXVDXHRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-15(2,3)11-4-6-12(7-5-11)18-13-8-9-17-14(16)10-13/h4-10H,1-3H3.
What are the key properties of 4-(4-tert-butylphenoxy)-2-chloropyridine?
4-(4-tert-butylphenoxy)-2-chloropyridine has a molecular weight of 261.75 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-2-chloropyridine is sourced from PubChem (CID 63777784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).