6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one

C15H9Br2NO3 — CID 162359739

IUPAC6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one
SMILESCc1nc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O
InChIInChI=1S/C15H9Br2NO3/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14/h2-6,19H,1H3
InChIKeyZNSRURBZYRDSMO-UHFFFAOYSA-N
MW411.05 g/mol
LogP4.39
Rot. Bonds1

About 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one

6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one (PubChem CID 162359739) has the molecular formula C15H9Br2NO3 and a molecular weight of 411.05 g/mol. Its IUPAC name is 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one
PubChem CID162359739
Molecular FormulaC15H9Br2NO3
Molecular Weight411.05 g/mol
Exact Mass408.89
IUPAC Name6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one
SMILESCc1nc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O
InChIInChI=1S/C15H9Br2NO3/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14/h2-6,19H,1H3
InChIKeyZNSRURBZYRDSMO-UHFFFAOYSA-N
XLogP4.39
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.05
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one?
The IUPAC name of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one (CID 162359739) is 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one?
The canonical SMILES for 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one is Cc1nc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O.
What is the InChIKey of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one?
The InChIKey is ZNSRURBZYRDSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NO3/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14/h2-6,19H,1H3.
What are the key properties of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one?
6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one has a molecular weight of 411.05 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 162359739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).