2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine

C15H16ClNO2 — CID 103866434

IUPAC2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
SMILESCCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C15H16ClNO2/c1-3-11-4-6-13(14(8-11)18-2)19-10-12-5-7-15(16)17-9-12/h4-9H,3,10H2,1-2H3
InChIKeyDBCQGIJPRXATCC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.88
Rot. Bonds5

About 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine

2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine (PubChem CID 103866434) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
PubChem CID103866434
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
SMILESCCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1
InChIInChI=1S/C15H16ClNO2/c1-3-11-4-6-13(14(8-11)18-2)19-10-12-5-7-15(16)17-9-12/h4-9H,3,10H2,1-2H3
InChIKeyDBCQGIJPRXATCC-UHFFFAOYSA-N
XLogP3.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-ethylazanium
CID 7597481
2-chloro-4-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 113341586
benzyl-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]azanium
CID 7581676
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-ethoxyphenyl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine;dihydrochloride
CID 17055824
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine
CID 4719560
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]hexan-1-amine;hydrochloride
CID 17293943
N'-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-N-methylpropane-1,3-diamine
CID 4719927
N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]prop-2-en-1-amine;hydrochloride
CID 17294027
2-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methylazaniumyl]ethyl-dimethylazanium dichloride
CID 44665781
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-cyclohexylazanium
CID 7600659
(1R)-N-[[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 7582626
[4-[(6-chloro-3-pyridinyl)methoxy]-3-methoxyphenyl]methyl-(1-phenylethyl)azanium chloride
CID 44665971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine?
The IUPAC name of 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine (CID 103866434) is 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine?
The canonical SMILES for 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine is CCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1.
What is the InChIKey of 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine?
The InChIKey is DBCQGIJPRXATCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-3-11-4-6-13(14(8-11)18-2)19-10-12-5-7-15(16)17-9-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine?
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine has a molecular weight of 277.75 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine is sourced from PubChem (CID 103866434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).