4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine

C14H14ClNO2 — CID 61269154

IUPAC4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
SMILESCCOc1ccc(Oc2cc(CCl)ccn2)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-17-12-3-5-13(6-4-12)18-14-9-11(10-15)7-8-16-14/h3-9H,2,10H2,1H3
InChIKeyIAMBWRSYUKEOEW-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.01
Rot. Bonds5

About 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine

4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine (PubChem CID 61269154) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
PubChem CID61269154
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
SMILESCCOc1ccc(Oc2cc(CCl)ccn2)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-17-12-3-5-13(6-4-12)18-14-9-11(10-15)7-8-16-14/h3-9H,2,10H2,1H3
InChIKeyIAMBWRSYUKEOEW-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
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

5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61268972
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
2-(3-bromophenoxy)-4-(chloromethyl)pyridine
CID 61267518
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
1-butyl-2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111051125
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
2-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-propylguanidine
CID 111051132
4-(chloromethyl)-2-(2-propoxyphenoxy)pyridine
CID 61268969
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
CID 61268789
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The IUPAC name of 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine (CID 61269154) is 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine.
What is the SMILES notation for 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The canonical SMILES for 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine is CCOc1ccc(Oc2cc(CCl)ccn2)cc1.
What is the InChIKey of 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The InChIKey is IAMBWRSYUKEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-2-17-12-3-5-13(6-4-12)18-14-9-11(10-15)7-8-16-14/h3-9H,2,10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine has a molecular weight of 263.72 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine is sourced from PubChem (CID 61269154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).