4-(pyridin-3-ylmethyl)benzene-1,3-diol

C12H11NO2 — CID 59152424

IUPAC4-(pyridin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2
InChIKeyZWKHYPPKPLXBIY-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.08
Rot. Bonds2

About 4-(pyridin-3-ylmethyl)benzene-1,3-diol

4-(pyridin-3-ylmethyl)benzene-1,3-diol (PubChem CID 59152424) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(pyridin-3-ylmethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(pyridin-3-ylmethyl)benzene-1,3-diol
PubChem CID59152424
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name4-(pyridin-3-ylmethyl)benzene-1,3-diol
SMILESOc1ccc(Cc2cccnc2)c(O)c1
InChIInChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2
InChIKeyZWKHYPPKPLXBIY-UHFFFAOYSA-N
XLogP2.08
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3E)-3-((2,4-Dimethoxyphenyl)methylene)-3,4,5,6-tetrahydro-2,3'-bipyridine
CID 5310985
4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
4-[(E)-5,6-Dihydro-2,3'-bipyridin-3(4H)-ylidenemethyl]-3-methoxyphenol
CID 135508231
NoName_714
CID 135489221
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
3-(2-Hydroxy-4-methoxybenzylidene)anabaseine
CID 135524501
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178
Pyridine, 4-[4,5-dihydroxyphenyl]-
CID 604349
4-[2-(2-Pyridinyl)ethyl]phenol
CID 279650

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The IUPAC name of 4-(pyridin-3-ylmethyl)benzene-1,3-diol (CID 59152424) is 4-(pyridin-3-ylmethyl)benzene-1,3-diol.
What is the SMILES notation for 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The canonical SMILES for 4-(pyridin-3-ylmethyl)benzene-1,3-diol is Oc1ccc(Cc2cccnc2)c(O)c1.
What is the InChIKey of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
The InChIKey is ZWKHYPPKPLXBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-4-3-10(12(15)7-11)6-9-2-1-5-13-8-9/h1-5,7-8,14-15H,6H2.
What are the key properties of 4-(pyridin-3-ylmethyl)benzene-1,3-diol?
4-(pyridin-3-ylmethyl)benzene-1,3-diol has a molecular weight of 201.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylmethyl)benzene-1,3-diol is sourced from PubChem (CID 59152424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).