5-hydroxy-3-pyridin-3-ylxanthen-9-one

C18H11NO3 — CID 57436677

IUPAC5-hydroxy-3-pyridin-3-ylxanthen-9-one
SMILESO=c1c2ccc(-c3cccnc3)cc2oc2c(O)cccc12
InChIInChI=1S/C18H11NO3/c20-15-5-1-4-14-17(21)13-7-6-11(9-16(13)22-18(14)15)12-3-2-8-19-10-12/h1-10,20H
InChIKeyZEXCXLBRPAYEBS-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.71
Rot. Bonds1

About 5-hydroxy-3-pyridin-3-ylxanthen-9-one

5-hydroxy-3-pyridin-3-ylxanthen-9-one (PubChem CID 57436677) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-hydroxy-3-pyridin-3-ylxanthen-9-one.

Molecular Properties

Compound Name5-hydroxy-3-pyridin-3-ylxanthen-9-one
PubChem CID57436677
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name5-hydroxy-3-pyridin-3-ylxanthen-9-one
SMILESO=c1c2ccc(-c3cccnc3)cc2oc2c(O)cccc12
InChIInChI=1S/C18H11NO3/c20-15-5-1-4-14-17(21)13-7-6-11(9-16(13)22-18(14)15)12-3-2-8-19-10-12/h1-10,20H
InChIKeyZEXCXLBRPAYEBS-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
CID 58255623
3,11-bis(3,5-diphenylphenyl)chromeno[2,3-a]xanthene-8,14-dione
CID 170440831
1-chloro-8-pyridin-3-ylchromeno[3,2-c]pyridin-10-one
CID 58466246
4-[4-(4-dibenzofuran-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077831
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
3-azulen-6-ylpyridine
CID 86232079
3-(3-ethyl-1-benzofuran-6-yl)pyridine
CID 91016245
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
1,2,5-trihydroxyxanthen-9-one
CID 10060362
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
benzene;3-[3-[3-(3,5-dipyridin-3-ylphenyl)phenyl]-5-pyridin-3-ylphenyl]pyridine
CID 158338475
2,7-bis(3-pyridin-3-ylphenyl)-9H-carbazole
CID 142715310

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-pyridin-3-ylxanthen-9-one?
The IUPAC name of 5-hydroxy-3-pyridin-3-ylxanthen-9-one (CID 57436677) is 5-hydroxy-3-pyridin-3-ylxanthen-9-one.
What is the SMILES notation for 5-hydroxy-3-pyridin-3-ylxanthen-9-one?
The canonical SMILES for 5-hydroxy-3-pyridin-3-ylxanthen-9-one is O=c1c2ccc(-c3cccnc3)cc2oc2c(O)cccc12.
What is the InChIKey of 5-hydroxy-3-pyridin-3-ylxanthen-9-one?
The InChIKey is ZEXCXLBRPAYEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO3/c20-15-5-1-4-14-17(21)13-7-6-11(9-16(13)22-18(14)15)12-3-2-8-19-10-12/h1-10,20H.
What are the key properties of 5-hydroxy-3-pyridin-3-ylxanthen-9-one?
5-hydroxy-3-pyridin-3-ylxanthen-9-one has a molecular weight of 289.29 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-pyridin-3-ylxanthen-9-one is sourced from PubChem (CID 57436677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).