2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one

C13H10N2O3 — CID 139679668

IUPAC2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(C(O)=C(O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O3/c16-11(9-5-1-3-7-14-9)13(18)12(17)10-6-2-4-8-15-10/h1-8,16,18H
InChIKeyNZOIGLUPDGFLNX-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.14
Rot. Bonds3

About 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one

2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one (PubChem CID 139679668) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
PubChem CID139679668
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one
SMILESO=C(C(O)=C(O)c1ccccn1)c1ccccn1
InChIInChI=1S/C13H10N2O3/c16-11(9-5-1-3-7-14-9)13(18)12(17)10-6-2-4-8-15-10/h1-8,16,18H
InChIKeyNZOIGLUPDGFLNX-UHFFFAOYSA-N
XLogP2.14
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

gadolinium;pyridine-2-carboxylic acid
CID 175231422
CID 175246691
CID 175246691
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
europium;pyridine-2-carboxylic acid
CID 174808227
lithium pyridine-2-carbonylazanide
CID 87752623
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
2-chloro-1-pyridin-2-ylprop-2-en-1-one
CID 102256379
phosphanyl(pyridin-2-yl)methanone
CID 89397457
pyridine-2-carbothioic S-acid
CID 158789814

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The IUPAC name of 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one (CID 139679668) is 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The canonical SMILES for 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one is O=C(C(O)=C(O)c1ccccn1)c1ccccn1.
What is the InChIKey of 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
The InChIKey is NZOIGLUPDGFLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-11(9-5-1-3-7-14-9)13(18)12(17)10-6-2-4-8-15-10/h1-8,16,18H.
What are the key properties of 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one?
2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one has a molecular weight of 242.23 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1,3-dipyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 139679668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).