ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol

C21H22N2O2 — CID 142259513

IUPACethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol
SMILESCC.COc1cc(O)cc(/C=C\c2ccc(-c3ccccn3)nc2)c1
InChIInChI=1S/C19H16N2O2.C2H6/c1-23-17-11-15(10-16(22)12-17)6-5-14-7-8-19(21-13-14)18-4-2-3-9-20-18;1-2/h2-13,22H,1H3;1-2H3/b6-5-;
InChIKeyYDUSOYQBXPKDCN-YSMBQZINSA-N
MW334.42 g/mol
LogP5.05
Rot. Bonds4

About ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol

ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol (PubChem CID 142259513) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol.

Molecular Properties

Compound Nameethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol
PubChem CID142259513
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Nameethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol
SMILESCC.COc1cc(O)cc(/C=C\c2ccc(-c3ccccn3)nc2)c1
InChIInChI=1S/C19H16N2O2.C2H6/c1-23-17-11-15(10-16(22)12-17)6-5-14-7-8-19(21-13-14)18-4-2-3-9-20-18;1-2/h2-13,22H,1H3;1-2H3/b6-5-;
InChIKeyYDUSOYQBXPKDCN-YSMBQZINSA-N
XLogP5.05
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.42
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-pyridin-2-ylpyridine
CID 604153
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
3-[(E)-2-(2-hydroxyphenyl)ethenyl]-5-methoxyphenol
CID 102318988
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
5-[2-[3,4-bis(methoxymethoxy)phenyl]ethenyl]-2-pyridin-2-ylpyridine;dichlorozinc
CID 162305532
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;[4-[(E)-2-[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]methanol;2-pyridin-2-ylpyridine;ruthenium
CID 166511335
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
CID 102160663
3-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(trideuteriomethoxy)phenol
CID 175345045
5-(methoxymethyl)-2-pyridin-2-ylpyridine
CID 58454942
CID 69026605
CID 69026605
5-(2-methoxyethoxy)-2-pyridin-2-ylpyridine
CID 137419223

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol?
The IUPAC name of ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol (CID 142259513) is ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol.
What is the SMILES notation for ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol?
The canonical SMILES for ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol is CC.COc1cc(O)cc(/C=C\c2ccc(-c3ccccn3)nc2)c1.
What is the InChIKey of ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol?
The InChIKey is YDUSOYQBXPKDCN-YSMBQZINSA-N. The full InChI is InChI=1S/C19H16N2O2.C2H6/c1-23-17-11-15(10-16(22)12-17)6-5-14-7-8-19(21-13-14)18-4-2-3-9-20-18;1-2/h2-13,22H,1H3;1-2H3/b6-5-;.
What are the key properties of ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol?
ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-5-[(Z)-2-(6-pyridin-2-yl-3-pyridinyl)ethenyl]phenol is sourced from PubChem (CID 142259513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).