2-(chloromethyl)-4-naphthalen-1-yloxypyridine

C16H12ClNO — CID 61269548

IUPAC2-(chloromethyl)-4-naphthalen-1-yloxypyridine
SMILESClCc1cc(Oc2cccc3ccccc23)ccn1
InChIInChI=1S/C16H12ClNO/c17-11-13-10-14(8-9-18-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2
InChIKeyBRJAVTPSIRYDJD-UHFFFAOYSA-N
MW269.73 g/mol
LogP4.77
Rot. Bonds3

About 2-(chloromethyl)-4-naphthalen-1-yloxypyridine

2-(chloromethyl)-4-naphthalen-1-yloxypyridine (PubChem CID 61269548) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-(chloromethyl)-4-naphthalen-1-yloxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-naphthalen-1-yloxypyridine
PubChem CID61269548
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name2-(chloromethyl)-4-naphthalen-1-yloxypyridine
SMILESClCc1cc(Oc2cccc3ccccc23)ccn1
InChIInChI=1S/C16H12ClNO/c17-11-13-10-14(8-9-18-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2
InChIKeyBRJAVTPSIRYDJD-UHFFFAOYSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 54.77
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-naphthalen-1-yloxypyridine?
The IUPAC name of 2-(chloromethyl)-4-naphthalen-1-yloxypyridine (CID 61269548) is 2-(chloromethyl)-4-naphthalen-1-yloxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-naphthalen-1-yloxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-naphthalen-1-yloxypyridine is ClCc1cc(Oc2cccc3ccccc23)ccn1.
What is the InChIKey of 2-(chloromethyl)-4-naphthalen-1-yloxypyridine?
The InChIKey is BRJAVTPSIRYDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-11-13-10-14(8-9-18-13)19-16-7-3-5-12-4-1-2-6-15(12)16/h1-10H,11H2.
What are the key properties of 2-(chloromethyl)-4-naphthalen-1-yloxypyridine?
2-(chloromethyl)-4-naphthalen-1-yloxypyridine has a molecular weight of 269.73 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-naphthalen-1-yloxypyridine is sourced from PubChem (CID 61269548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).