1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone

C13H11NO3 — CID 640062

IUPAC1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(O)cc1O
InChIInChI=1S/C13H11NO3/c15-10-4-5-11(13(17)8-10)12(16)7-9-3-1-2-6-14-9/h1-6,8,15,17H,7H2
InChIKeyVUQBDXYELPPNIE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.92
Rot. Bonds3

About 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone

1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone (PubChem CID 640062) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone
PubChem CID640062
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1ccc(O)cc1O
InChIInChI=1S/C13H11NO3/c15-10-4-5-11(13(17)8-10)12(16)7-9-3-1-2-6-14-9/h1-6,8,15,17H,7H2
InChIKeyVUQBDXYELPPNIE-UHFFFAOYSA-N
XLogP1.92
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
CID 11160307
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
Dilmefone
CID 6445006
CA standard inhibitor, 2
CID 19564789
1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone (6)
CID 10657726
1-(2-Hydroxyphenyl)-3-(4-pyridinyl)-1-propanone
CID 44204990
1-(2-Hydroxy-4-methoxyphenyl)-3-(2-pyridinyl)-1-propanone
CID 49869549
1-(2-Hydroxy-4-(2-methylpropoxy)phenyl)-3-(2-pyridinyl)-1-propanone
CID 49869550
(E)-1-(5-fluoro-2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5819759

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone (CID 640062) is 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone?
The InChIKey is VUQBDXYELPPNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-10-4-5-11(13(17)8-10)12(16)7-9-3-1-2-6-14-9/h1-6,8,15,17H,7H2.
What are the key properties of 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone?
1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone has a molecular weight of 229.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 640062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).