7,8-dihydroxy-2-pyridin-3-ylchromen-4-one

C14H9NO4 — CID 44624869

IUPAC7,8-dihydroxy-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(O)c(O)ccc12
InChIInChI=1S/C14H9NO4/c16-10-4-3-9-11(17)6-12(19-14(9)13(10)18)8-2-1-5-15-7-8/h1-7,16,18H
InChIKeyKNOZLZHIXZPQSJ-UHFFFAOYSA-N
MW255.23 g/mol
LogP2.27
Rot. Bonds1

About 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one

7,8-dihydroxy-2-pyridin-3-ylchromen-4-one (PubChem CID 44624869) has the molecular formula C14H9NO4 and a molecular weight of 255.23 g/mol. Its IUPAC name is 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one.

Molecular Properties

Compound Name7,8-dihydroxy-2-pyridin-3-ylchromen-4-one
PubChem CID44624869
Molecular FormulaC14H9NO4
Molecular Weight255.23 g/mol
Exact Mass255.05
IUPAC Name7,8-dihydroxy-2-pyridin-3-ylchromen-4-one
SMILESO=c1cc(-c2cccnc2)oc2c(O)c(O)ccc12
InChIInChI=1S/C14H9NO4/c16-10-4-3-9-11(17)6-12(19-14(9)13(10)18)8-2-1-5-15-7-8/h1-7,16,18H
InChIKeyKNOZLZHIXZPQSJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one?
The IUPAC name of 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one (CID 44624869) is 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one.
What is the SMILES notation for 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one?
The canonical SMILES for 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one is O=c1cc(-c2cccnc2)oc2c(O)c(O)ccc12.
What is the InChIKey of 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one?
The InChIKey is KNOZLZHIXZPQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO4/c16-10-4-3-9-11(17)6-12(19-14(9)13(10)18)8-2-1-5-15-7-8/h1-7,16,18H.
What are the key properties of 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one?
7,8-dihydroxy-2-pyridin-3-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 7,8-dihydroxy-2-pyridin-3-ylchromen-4-one is sourced from PubChem (CID 44624869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).