5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc

C22H22Cl2N2O4Zn — CID 162305532

IUPAC5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc
SMILESCOCOc1ccc(C=Cc2ccc(-c3ccccn3)nc2)cc1OCOC.Cl[Zn]Cl
InChIInChI=1S/C22H22N2O4.2ClH.Zn/c1-25-15-27-21-11-9-17(13-22(21)28-16-26-2)6-7-18-8-10-20(24-14-18)19-5-3-4-12-23-19;;;/h3-14H,15-16H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyAXANNYPDLHJZFS-UHFFFAOYSA-L
MW514.72 g/mol
LogP5.66
Rot. Bonds9

About 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc

5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc (PubChem CID 162305532) has the molecular formula C22H22Cl2N2O4Zn and a molecular weight of 514.72 g/mol. Its IUPAC name is 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc.

Molecular Properties

Compound Name5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc
PubChem CID162305532
Molecular FormulaC22H22Cl2N2O4Zn
Molecular Weight514.72 g/mol
Exact Mass512.02
IUPAC Name5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc
SMILESCOCOc1ccc(C=Cc2ccc(-c3ccccn3)nc2)cc1OCOC.Cl[Zn]Cl
InChIInChI=1S/C22H22N2O4.2ClH.Zn/c1-25-15-27-21-11-9-17(13-22(21)28-16-26-2)6-7-18-8-10-20(24-14-18)19-5-3-4-12-23-19;;;/h3-14H,15-16H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyAXANNYPDLHJZFS-UHFFFAOYSA-L
XLogP5.66
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.72
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-2-(methoxymethoxy)-4-[(E)-2-[4-[(E)-2-[4-methoxy-3-(methoxymethoxy)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 11730255
1,2-bis(methoxymethoxy)-4-[(E)-prop-1-enyl]benzene
CID 58923294
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol
CID 142259513
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
4-ethenyl-1,2-bis(methoxymethoxy)benzene
CID 57430947
4-[(E)-2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzenesulfonamide
CID 68976551
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
3,4-bis[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]benzoic acid
CID 142209148
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
2-[4-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]phenyl]acetamide
CID 90856781
5-(2-methoxyethoxy)-2-pyridin-2-ylpyridine
CID 137419223

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc?
The IUPAC name of 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc (CID 162305532) is 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc.
What is the SMILES notation for 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc?
The canonical SMILES for 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc is COCOc1ccc(C=Cc2ccc(-c3ccccn3)nc2)cc1OCOC.Cl[Zn]Cl.
What is the InChIKey of 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc?
The InChIKey is AXANNYPDLHJZFS-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H22N2O4.2ClH.Zn/c1-25-15-27-21-11-9-17(13-22(21)28-16-26-2)6-7-18-8-10-20(24-14-18)19-5-3-4-12-23-19;;;/h3-14H,15-16H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc?
5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc has a molecular weight of 514.72 g/mol, XLogP of 5.66, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc is sourced from PubChem (CID 162305532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).