2-(chloromethyl)-6-phenylmethoxypyridine

C13H12ClNO — CID 21193174

IUPAC2-(chloromethyl)-6-phenylmethoxypyridine
SMILESClCc1cccc(OCc2ccccc2)n1
InChIInChI=1S/C13H12ClNO/c14-9-12-7-4-8-13(15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyBTLWFHKLUNCRQJ-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.40
Rot. Bonds4

About 2-(chloromethyl)-6-phenylmethoxypyridine

2-(chloromethyl)-6-phenylmethoxypyridine (PubChem CID 21193174) has the molecular formula C13H12ClNO and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-(chloromethyl)-6-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-6-phenylmethoxypyridine
PubChem CID21193174
Molecular FormulaC13H12ClNO
Molecular Weight233.70 g/mol
Exact Mass233.06
IUPAC Name2-(chloromethyl)-6-phenylmethoxypyridine
SMILESClCc1cccc(OCc2ccccc2)n1
InChIInChI=1S/C13H12ClNO/c14-9-12-7-4-8-13(15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyBTLWFHKLUNCRQJ-UHFFFAOYSA-N
XLogP3.40
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.40
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)-6-phenylmethoxypyridine?
The IUPAC name of 2-(chloromethyl)-6-phenylmethoxypyridine (CID 21193174) is 2-(chloromethyl)-6-phenylmethoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-6-phenylmethoxypyridine?
The canonical SMILES for 2-(chloromethyl)-6-phenylmethoxypyridine is ClCc1cccc(OCc2ccccc2)n1.
What is the InChIKey of 2-(chloromethyl)-6-phenylmethoxypyridine?
The InChIKey is BTLWFHKLUNCRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO/c14-9-12-7-4-8-13(15-12)16-10-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-(chloromethyl)-6-phenylmethoxypyridine?
2-(chloromethyl)-6-phenylmethoxypyridine has a molecular weight of 233.70 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-phenylmethoxypyridine is sourced from PubChem (CID 21193174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).