4-(2-pyridin-3-ylethyl)benzene-1,3-diol

C26H26N2O4 — CID 162046390

IUPAC4-(2-pyridin-3-ylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2cccnc2)c(O)c1.Oc1ccc(CCc2cccnc2)c(O)c1
InChIInChI=1S/2C13H13NO2/c2*15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h2*1-2,5-9,15-16H,3-4H2
InChIKeyYXYDVCKIUZGLDK-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.56
Rot. Bonds6

About 4-(2-pyridin-3-ylethyl)benzene-1,3-diol

4-(2-pyridin-3-ylethyl)benzene-1,3-diol (PubChem CID 162046390) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is 4-(2-pyridin-3-ylethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(2-pyridin-3-ylethyl)benzene-1,3-diol
PubChem CID162046390
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name4-(2-pyridin-3-ylethyl)benzene-1,3-diol
SMILESOc1ccc(CCc2cccnc2)c(O)c1.Oc1ccc(CCc2cccnc2)c(O)c1
InChIInChI=1S/2C13H13NO2/c2*15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h2*1-2,5-9,15-16H,3-4H2
InChIKeyYXYDVCKIUZGLDK-UHFFFAOYSA-N
XLogP4.56
TPSA106.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
3-Pyridin-4-yl-quinoline-5,7-diol
CID 135474209
4-[(Z)-N-anilino-C-(pyridin-2-ylmethyl)carbonimidoyl]benzene-1,3-diol
CID 135519892
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
3-Fluoro-4''-(2-methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-4-ol
CID 49799473
3-(4-Hydroxybenzylidene)anabaseine
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3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The IUPAC name of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol (CID 162046390) is 4-(2-pyridin-3-ylethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The canonical SMILES for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol is Oc1ccc(CCc2cccnc2)c(O)c1.Oc1ccc(CCc2cccnc2)c(O)c1.
What is the InChIKey of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
The InChIKey is YXYDVCKIUZGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H13NO2/c2*15-12-6-5-11(13(16)8-12)4-3-10-2-1-7-14-9-10/h2*1-2,5-9,15-16H,3-4H2.
What are the key properties of 4-(2-pyridin-3-ylethyl)benzene-1,3-diol?
4-(2-pyridin-3-ylethyl)benzene-1,3-diol has a molecular weight of 430.50 g/mol, XLogP of 4.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-3-ylethyl)benzene-1,3-diol is sourced from PubChem (CID 162046390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).