5,7-dihydroxy-3-pyridin-2-ylchromen-4-one

C14H9NO4 — CID 5413046

IUPAC5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
SMILESO=c1c(-c2ccccn2)coc2cc(O)cc(O)c12
InChIInChI=1S/C14H9NO4/c16-8-5-11(17)13-12(6-8)19-7-9(14(13)18)10-3-1-2-4-15-10/h1-7,16-17H
InChIKeyMAVBOWDRNHRQLC-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.27
Rot. Bonds1

About 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one

5,7-dihydroxy-3-pyridin-2-ylchromen-4-one (PubChem CID 5413046) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
PubChem CID5413046
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name5,7-dihydroxy-3-pyridin-2-ylchromen-4-one
SMILESO=c1c(-c2ccccn2)coc2cc(O)cc(O)c12
InChIInChI=1S/C14H9NO4/c16-8-5-11(17)13-12(6-8)19-7-9(14(13)18)10-3-1-2-4-15-10/h1-7,16-17H
InChIKeyMAVBOWDRNHRQLC-UHFFFAOYSA-N
XLogP2.27
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-hydroxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 10069029
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-Methoxy-3-phenyl-2-[(3-pyridylmethyl)thio]-4h-1-benzopyran-4-one
CID 11164739
7-methoxy-3-(4-methoxyphenyl)-2-[(pyridin-4-ylmethyl)sulfanyl]-4H-chromen-4-one
CID 11246736
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
Dilmefone
CID 6445006
1-(2,4-Dihydroxyphenyl)-3-(pyridin-4-yl)propenone (6)
CID 10657726
N'-{[(2,4-dimethoxyphenyl)carbonyl]oxy}pyridine-2-carboximidamide
CID 9646561
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

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one (CID 5413046) is 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one is O=c1c(-c2ccccn2)coc2cc(O)cc(O)c12.
What is the InChIKey of 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one?
The InChIKey is MAVBOWDRNHRQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-8-5-11(17)13-12(6-8)19-7-9(14(13)18)10-3-1-2-4-15-10/h1-7,16-17H.
What are the key properties of 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one?
5,7-dihydroxy-3-pyridin-2-ylchromen-4-one has a molecular weight of 255.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 5413046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).