2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine

C14H14ClNO2 — CID 13387628

IUPAC2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine
SMILESCOc1cc(CCl)ncc1OCc1ccccc1
InChIInChI=1S/C14H14ClNO2/c1-17-13-7-12(8-15)16-9-14(13)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKeyTVOASPZQCGHNSO-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.41
Rot. Bonds5

About 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine

2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine (PubChem CID 13387628) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine
PubChem CID13387628
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine
SMILESCOc1cc(CCl)ncc1OCc1ccccc1
InChIInChI=1S/C14H14ClNO2/c1-17-13-7-12(8-15)16-9-14(13)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3
InChIKeyTVOASPZQCGHNSO-UHFFFAOYSA-N
XLogP3.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxy-5-phenylmethoxypyridine?
The IUPAC name of 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine (CID 13387628) is 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine is COc1cc(CCl)ncc1OCc1ccccc1.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine?
The InChIKey is TVOASPZQCGHNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-17-13-7-12(8-15)16-9-14(13)18-10-11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine?
2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine has a molecular weight of 263.72 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-5-phenylmethoxypyridine is sourced from PubChem (CID 13387628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).