3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine

C14H14ClNO2 — CID 81234048

IUPAC3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
SMILESCOc1cc(C)ccc1Oc1ccncc1CCl
InChIInChI=1S/C14H14ClNO2/c1-10-3-4-13(14(7-10)17-2)18-12-5-6-16-9-11(12)8-15/h3-7,9H,8H2,1-2H3
InChIKeyFLIGRSIJXWZMCT-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.93
Rot. Bonds4

About 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine

3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine (PubChem CID 81234048) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
PubChem CID81234048
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
SMILESCOc1cc(C)ccc1Oc1ccncc1CCl
InChIInChI=1S/C14H14ClNO2/c1-10-3-4-13(14(7-10)17-2)18-12-5-6-16-9-11(12)8-15/h3-7,9H,8H2,1-2H3
InChIKeyFLIGRSIJXWZMCT-UHFFFAOYSA-N
XLogP3.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-4-(2-chloro-5-methylphenoxy)pyridine
CID 81234889
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
4-(2-methoxy-4-methylphenoxy)pyridin-3-amine
CID 28890242
3-(chloromethyl)-4-(2,6-dimethoxyphenoxy)pyridine
CID 81235555
5-(2-methoxy-4-methylphenoxy)isoquinolin-8-amine
CID 43448887
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 112594445
N-[[4-(2-chloro-5-methylphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250377
4-(2-tert-butylphenoxy)-3-(chloromethyl)pyridine
CID 81234744
[4-(2-tert-butyl-5-methylphenoxy)-3-pyridinyl]methanamine
CID 81255272
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
N-[[4-(2-bromo-4-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 81250448
3-(chloromethyl)-4-(3-propan-2-ylphenoxy)pyridine
CID 81233837

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine?
The IUPAC name of 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine (CID 81234048) is 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine?
The canonical SMILES for 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine is COc1cc(C)ccc1Oc1ccncc1CCl.
What is the InChIKey of 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine?
The InChIKey is FLIGRSIJXWZMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-10-3-4-13(14(7-10)17-2)18-12-5-6-16-9-11(12)8-15/h3-7,9H,8H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine?
3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine has a molecular weight of 263.72 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine is sourced from PubChem (CID 81234048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).