2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine

C23H23ClN2O4 — CID 164856299

IUPAC2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
SMILESCc1cc(OCc2ccccn2)ccc1-c1cc(OCC2COCCO2)cc(Cl)n1
InChIInChI=1S/C23H23ClN2O4/c1-16-10-18(29-13-17-4-2-3-7-25-17)5-6-21(16)22-11-19(12-23(24)26-22)30-15-20-14-27-8-9-28-20/h2-7,10-12,20H,8-9,13-15H2,1H3
InChIKeyJEUHFHGDKGGNIQ-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.48
Rot. Bonds7

About 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine

2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine (PubChem CID 164856299) has the molecular formula C23H23ClN2O4 and a molecular weight of 426.90 g/mol. Its IUPAC name is 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
PubChem CID164856299
Molecular FormulaC23H23ClN2O4
Molecular Weight426.90 g/mol
Exact Mass426.13
IUPAC Name2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
SMILESCc1cc(OCc2ccccn2)ccc1-c1cc(OCC2COCCO2)cc(Cl)n1
InChIInChI=1S/C23H23ClN2O4/c1-16-10-18(29-13-17-4-2-3-7-25-17)5-6-21(16)22-11-19(12-23(24)26-22)30-15-20-14-27-8-9-28-20/h2-7,10-12,20H,8-9,13-15H2,1H3
InChIKeyJEUHFHGDKGGNIQ-UHFFFAOYSA-N
XLogP4.48
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2R)-1,4-dioxan-2-yl]methoxy]-4-methoxy-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine
CID 164856213
N-[3-[4-[6-chloro-4-[[(2R)-1,4-dioxan-2-yl]methoxy]-2-pyridinyl]-3-methylphenyl]prop-2-ynyl]aniline
CID 167420520
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-methoxypyridine
CID 164856462
1-[(2R)-1,4-dioxan-2-yl]-N-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanamine
CID 99931473
2-[(4-methoxyphenoxy)methyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 102286855
2-[(3,4-dichlorophenoxy)methyl]pyridine
CID 174779615
3-[6-(1,4-dioxan-2-ylmethoxy)naphthalen-2-yl]-1-methylpyrazole
CID 175643181
4-[4-(2-cyclopropylethynyl)-2-methylphenyl]-6-(1,4-dioxan-2-ylmethoxy)-2-methoxypyrimidine
CID 164856413
2-[[3-(oxiran-2-ylmethoxy)phenyl]methyl]pyridine
CID 12919852
2-[4-[2-[6-(1,4-dioxan-2-ylmethoxy)-4-phenylmethoxy-2-pyridinyl]ethynyl]phenoxy]ethanamine;hydrochloride
CID 166529846
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
1-methyl-4-(oxolan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-2-one
CID 122641939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine?
The IUPAC name of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine (CID 164856299) is 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine.
What is the SMILES notation for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine?
The canonical SMILES for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine is Cc1cc(OCc2ccccn2)ccc1-c1cc(OCC2COCCO2)cc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine?
The InChIKey is JEUHFHGDKGGNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4/c1-16-10-18(29-13-17-4-2-3-7-25-17)5-6-21(16)22-11-19(12-23(24)26-22)30-15-20-14-27-8-9-28-20/h2-7,10-12,20H,8-9,13-15H2,1H3.
What are the key properties of 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine?
2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine has a molecular weight of 426.90 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,4-dioxan-2-ylmethoxy)-6-[2-methyl-4-(pyridin-2-ylmethoxy)phenyl]pyridine is sourced from PubChem (CID 164856299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).