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

C14H14ClNO2 — CID 61268972

IUPAC5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
SMILESCCOc1ccc(Oc2ccc(CCl)cn2)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-17-12-4-6-13(7-5-12)18-14-8-3-11(9-15)10-16-14/h3-8,10H,2,9H2,1H3
InChIKeyRPADNRQOWREYJD-UHFFFAOYSA-N
MW263.72 g/mol
LogP4.01
Rot. Bonds5

About 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine

5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine (PubChem CID 61268972) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
PubChem CID61268972
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
SMILESCCOc1ccc(Oc2ccc(CCl)cn2)cc1
InChIInChI=1S/C14H14ClNO2/c1-2-17-12-4-6-13(7-5-12)18-14-8-3-11(9-15)10-16-14/h3-8,10H,2,9H2,1H3
InChIKeyRPADNRQOWREYJD-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-ethoxypyridine
CID 10535190
5-(chloromethyl)-2-ethoxypyridine;hydrochloride
CID 21271667
5-chloro-2-(4-ethoxyphenoxy)pyridine
CID 66234109
N-[[6-(4-ethoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62298309
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098
4-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine
CID 61269154
2-(4-chloro-3-fluorophenoxy)-5-(chloromethyl)pyridine
CID 82716658
3-(chloromethyl)-6-(4-ethoxyphenoxy)pyridazine
CID 61268789
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
5-[4-(chloromethyl)phenyl]-2-ethoxypyridine
CID 67173780
2-(2-butan-2-ylphenoxy)-5-(chloromethyl)pyridine
CID 61268989
5-(methoxymethyl)-2-(4-methoxyphenoxy)pyridine
CID 143812983

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The IUPAC name of 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine (CID 61268972) is 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine.
What is the SMILES notation for 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The canonical SMILES for 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine is CCOc1ccc(Oc2ccc(CCl)cn2)cc1.
What is the InChIKey of 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
The InChIKey is RPADNRQOWREYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-2-17-12-4-6-13(7-5-12)18-14-8-3-11(9-15)10-16-14/h3-8,10H,2,9H2,1H3.
What are the key properties of 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine?
5-(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 5-(chloromethyl)-2-(4-ethoxyphenoxy)pyridine is sourced from PubChem (CID 61268972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).