3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one

C13H10N2O2 — CID 139178157

IUPAC3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(C=C(O)c1cccnc1)c1ccncc1
InChIInChI=1S/C13H10N2O2/c16-12(10-3-6-14-7-4-10)8-13(17)11-2-1-5-15-9-11/h1-9,17H
InChIKeyMAGXLBOUXPTRRU-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.26
Rot. Bonds3

About 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one

3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one (PubChem CID 139178157) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
PubChem CID139178157
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one
SMILESO=C(C=C(O)c1cccnc1)c1ccncc1
InChIInChI=1S/C13H10N2O2/c16-12(10-3-6-14-7-4-10)8-13(17)11-2-1-5-15-9-11/h1-9,17H
InChIKeyMAGXLBOUXPTRRU-UHFFFAOYSA-N
XLogP2.26
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-hydroxy-1-(4-propan-2-ylphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 98470060
4-hydroxy-2-oxo-4-pyridin-3-ylbut-3-enoic acid
CID 74709093
1,1,1-trifluoro-4-hydroxy-4-pyridin-3-ylbut-3-en-2-one
CID 781038
1,3-diphenyl-5-pyridin-3-ylpent-2-ene-1,5-dione
CID 4267792
benzene;pyridine-3-carboxamide
CID 66766032
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);zinc
CID 5369713
(Z)-1-hydroxy-1-pyridin-3-ylhept-1-en-3-one
CID 45272531
4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 53427422
(Z)-4-oxo-4-pyridin-3-ylbut-2-enoic acid
CID 167311390
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 157283677
CID 157283677
bis((Z)-3-hydroxy-1,3-diphenylprop-2-en-1-one);titanium;dihydrate
CID 6477791

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one?
The IUPAC name of 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one (CID 139178157) is 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one.
What is the SMILES notation for 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one?
The canonical SMILES for 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one is O=C(C=C(O)c1cccnc1)c1ccncc1.
What is the InChIKey of 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one?
The InChIKey is MAGXLBOUXPTRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-12(10-3-6-14-7-4-10)8-13(17)11-2-1-5-15-9-11/h1-9,17H.
What are the key properties of 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one?
3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one has a molecular weight of 226.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyridin-3-yl-1-pyridin-4-ylprop-2-en-1-one is sourced from PubChem (CID 139178157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).