2-(chloromethyl)-4-(4-phenylphenoxy)pyridine

C18H14ClNO — CID 63446226

IUPAC2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
SMILESClCc1cc(Oc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C18H14ClNO/c19-13-16-12-18(10-11-20-16)21-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyOYXUKBJRCFFODT-UHFFFAOYSA-N
MW295.77 g/mol
LogP5.28
Rot. Bonds4

About 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine

2-(chloromethyl)-4-(4-phenylphenoxy)pyridine (PubChem CID 63446226) has the molecular formula C18H14ClNO and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
PubChem CID63446226
Molecular FormulaC18H14ClNO
Molecular Weight295.77 g/mol
Exact Mass295.08
IUPAC Name2-(chloromethyl)-4-(4-phenylphenoxy)pyridine
SMILESClCc1cc(Oc2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C18H14ClNO/c19-13-16-12-18(10-11-20-16)21-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyOYXUKBJRCFFODT-UHFFFAOYSA-N
XLogP5.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.77
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine?
The IUPAC name of 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine (CID 63446226) is 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine?
The canonical SMILES for 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine is ClCc1cc(Oc2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine?
The InChIKey is OYXUKBJRCFFODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO/c19-13-16-12-18(10-11-20-16)21-17-8-6-15(7-9-17)14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine?
2-(chloromethyl)-4-(4-phenylphenoxy)pyridine has a molecular weight of 295.77 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(4-phenylphenoxy)pyridine is sourced from PubChem (CID 63446226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).