2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine

C16H11Cl2NO — CID 63446636

IUPAC2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine
SMILESClCc1cccc(Oc2ccc(Cl)c3ccccc23)n1
InChIInChI=1S/C16H11Cl2NO/c17-10-11-4-3-7-16(19-11)20-15-9-8-14(18)12-5-1-2-6-13(12)15/h1-9H,10H2
InChIKeySACACTNIMITNLK-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.42
Rot. Bonds3

About 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine

2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine (PubChem CID 63446636) has the molecular formula C16H11Cl2NO and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine
PubChem CID63446636
Molecular FormulaC16H11Cl2NO
Molecular Weight304.18 g/mol
Exact Mass303.02
IUPAC Name2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine
SMILESClCc1cccc(Oc2ccc(Cl)c3ccccc23)n1
InChIInChI=1S/C16H11Cl2NO/c17-10-11-4-3-7-16(19-11)20-15-9-8-14(18)12-5-1-2-6-13(12)15/h1-9H,10H2
InChIKeySACACTNIMITNLK-UHFFFAOYSA-N
XLogP5.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine 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 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine?
The IUPAC name of 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine (CID 63446636) is 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine is ClCc1cccc(Oc2ccc(Cl)c3ccccc23)n1.
What is the InChIKey of 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine?
The InChIKey is SACACTNIMITNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO/c17-10-11-4-3-7-16(19-11)20-15-9-8-14(18)12-5-1-2-6-13(12)15/h1-9H,10H2.
What are the key properties of 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine?
2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine has a molecular weight of 304.18 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(4-chloronaphthalen-1-yl)oxypyridine is sourced from PubChem (CID 63446636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).