(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

C14H11NO3 — CID 10657726

IUPAC(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+
InChIKeySWWOLTIJLQYLTE-DAFODLJHSA-N
MW241.25 g/mol
LogP2.39
Rot. Bonds3

About (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one

(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (PubChem CID 10657726) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
PubChem CID10657726
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
SMILESO=C(/C=C/c1ccncc1)c1ccc(O)cc1O
InChIInChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+
InChIKeySWWOLTIJLQYLTE-DAFODLJHSA-N
XLogP2.39
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
(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
US9682910, 4-(Pyridin-3yl)benzene-1,3-diol (3)
CID 22001174
(E)-1-(2-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5356048
7-hydroxy-3-(4-hydroxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10317448
7-Hydroxy-3-phenyl-2-[(4-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164320
7-Hydroxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11417114
1-(2,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5720628
US9682910, 4-(Pyridin-ylmethyl)benzene-1,3-diol (7)
CID 59152424
Nsc51353
CID 242591
Dilmefone
CID 6445006

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one (CID 10657726) is (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is O=C(/C=C/c1ccncc1)c1ccc(O)cc1O.
What is the InChIKey of (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
The InChIKey is SWWOLTIJLQYLTE-DAFODLJHSA-N. The full InChI is InChI=1S/C14H11NO3/c16-11-2-3-12(14(18)9-11)13(17)4-1-10-5-7-15-8-6-10/h1-9,16,18H/b4-1+.
What are the key properties of (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one?
(E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one has a molecular weight of 241.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,4-dihydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 10657726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).