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

C17H15Br2NO3 — CID 162359738

IUPAC6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane
SMILESCC.Cc1nc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O
InChIInChI=1S/C15H9Br2NO3.C2H6/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14;1-2/h2-6,19H,1H3;1-2H3
InChIKeyVPHUMIHTVGMGCD-UHFFFAOYSA-N
MW441.12 g/mol
LogP5.42
Rot. Bonds1

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

6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane (PubChem CID 162359738) has the molecular formula C17H15Br2NO3 and a molecular weight of 441.12 g/mol. Its IUPAC name is 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane.

Molecular Properties

Compound Name6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane
PubChem CID162359738
Molecular FormulaC17H15Br2NO3
Molecular Weight441.12 g/mol
Exact Mass438.94
IUPAC Name6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane
SMILESCC.Cc1nc(-c2cc(=O)c3cc(Br)cc(Br)c3o2)ccc1O
InChIInChI=1S/C15H9Br2NO3.C2H6/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14;1-2/h2-6,19H,1H3;1-2H3
InChIKeyVPHUMIHTVGMGCD-UHFFFAOYSA-N
XLogP5.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.12
LogP ≤ 55.42
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;ethane?
The IUPAC name of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane (CID 162359738) is 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane.
What is the SMILES notation for 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane?
The canonical SMILES for 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane is CC.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;ethane?
The InChIKey is VPHUMIHTVGMGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2NO3.C2H6/c1-7-12(19)3-2-11(18-7)14-6-13(20)9-4-8(16)5-10(17)15(9)21-14;1-2/h2-6,19H,1H3;1-2H3.
What are the key properties of 6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane?
6,8-dibromo-2-(5-hydroxy-6-methyl-2-pyridinyl)chromen-4-one;ethane has a molecular weight of 441.12 g/mol, XLogP of 5.42, 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;ethane is sourced from PubChem (CID 162359738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).