4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol

C22H23NO6 — CID 155121466

IUPAC4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(C(c2cc(CO)c(O)c(CO)c2)c2ccccn2)cc(CO)c1O
InChIInChI=1S/C22H23NO6/c24-9-15-5-13(6-16(10-25)21(15)28)20(19-3-1-2-4-23-19)14-7-17(11-26)22(29)18(8-14)12-27/h1-8,20,24-29H,9-12H2
InChIKeyGDZVPJPMQNKNAK-UHFFFAOYSA-N
MW397.43 g/mol
LogP1.64
Rot. Bonds7

About 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol

4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol (PubChem CID 155121466) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
PubChem CID155121466
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol
SMILESOCc1cc(C(c2cc(CO)c(O)c(CO)c2)c2ccccn2)cc(CO)c1O
InChIInChI=1S/C22H23NO6/c24-9-15-5-13(6-16(10-25)21(15)28)20(19-3-1-2-4-23-19)14-7-17(11-26)22(29)18(8-14)12-27/h1-8,20,24-29H,9-12H2
InChIKeyGDZVPJPMQNKNAK-UHFFFAOYSA-N
XLogP1.64
TPSA134.27 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 51.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
4-(2-hydroxyethyl)-2-[[2-hydroxy-5-(2-hydroxyethyl)-3-methylphenyl]-pyridin-2-ylmethyl]-6-methylphenol
CID 23520906
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
(2S)-2-amino-2-pyridin-2-ylethanol
CID 55278064
2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
CID 145259803
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[phenyl(pyridin-2-yl)methyl]urea
CID 110924300
2-[3-[phenyl(pyridin-2-yl)methyl]phenyl]pyridine
CID 146224739
2-[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenoxy]acetic acid
CID 155797235
(2R)-2-amino-2-pyridin-2-ylethanol;hydrochloride
CID 86306039
3-[(3R)-3-hydroxy-3-pyridin-2-ylpropyl]benzene-1,2-diol
CID 129382233

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol?
The IUPAC name of 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol (CID 155121466) is 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol.
What is the SMILES notation for 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol?
The canonical SMILES for 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol is OCc1cc(C(c2cc(CO)c(O)c(CO)c2)c2ccccn2)cc(CO)c1O.
What is the InChIKey of 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol?
The InChIKey is GDZVPJPMQNKNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c24-9-15-5-13(6-16(10-25)21(15)28)20(19-3-1-2-4-23-19)14-7-17(11-26)22(29)18(8-14)12-27/h1-8,20,24-29H,9-12H2.
What are the key properties of 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol?
4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol has a molecular weight of 397.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3,5-bis(hydroxymethyl)phenyl]-pyridin-2-ylmethyl]-2,6-bis(hydroxymethyl)phenol is sourced from PubChem (CID 155121466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).