2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine

C15H14ClNO3 — CID 170558457

IUPAC2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
SMILESCOc1ccc(COc2ccc(C3CO3)nc2Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-18-11-4-2-10(3-5-11)8-19-13-7-6-12(14-9-20-14)17-15(13)16/h2-7,14H,8-9H2,1H3
InChIKeyDIJDPFXIJRXMLJ-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine

2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine (PubChem CID 170558457) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
PubChem CID170558457
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine
SMILESCOc1ccc(COc2ccc(C3CO3)nc2Cl)cc1
InChIInChI=1S/C15H14ClNO3/c1-18-11-4-2-10(3-5-11)8-19-13-7-6-12(14-9-20-14)17-15(13)16/h2-7,14H,8-9H2,1H3
InChIKeyDIJDPFXIJRXMLJ-UHFFFAOYSA-N
XLogP3.39
TPSA43.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-[(2R)-oxiran-2-yl]-3-phenylmethoxypyridine
CID 170558536
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
CID 170171124
8-chloro-7-[(4-methoxyphenyl)methoxy]-2,3-dihydrochromen-4-one
CID 135373685
4-bromo-2-chloro-1-[(4-methoxyphenyl)methoxy]benzene
CID 59428353
5-chloro-4-[(4-methoxyphenyl)methoxy]-N-methyl-2-[[(2R)-oxiran-2-yl]methoxy]benzamide
CID 57494315
2-(chloromethyl)-4-methoxy-1-[(4-methoxyphenyl)methoxy]benzene
CID 43268081
5-chloro-2-[(4-methoxyphenyl)methoxy]benzenecarbothioamide
CID 62494579
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]benzaldehyde
CID 88918697
[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43141927
[2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]phenyl]-[(3R)-3-ethylmorpholin-4-yl]methanone
CID 159258985
2-[4-bromo-3-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dioxolane
CID 169175235
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine?
The IUPAC name of 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine (CID 170558457) is 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine.
What is the SMILES notation for 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine?
The canonical SMILES for 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine is COc1ccc(COc2ccc(C3CO3)nc2Cl)cc1.
What is the InChIKey of 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine?
The InChIKey is DIJDPFXIJRXMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-18-11-4-2-10(3-5-11)8-19-13-7-6-12(14-9-20-14)17-15(13)16/h2-7,14H,8-9H2,1H3.
What are the key properties of 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine?
2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine has a molecular weight of 291.73 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(4-methoxyphenyl)methoxy]-6-(oxiran-2-yl)pyridine is sourced from PubChem (CID 170558457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).