8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one

C15H10BrNO3 — CID 162359766

IUPAC8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one
SMILESCc1cc(-c2cc(=O)c3cccc(Br)c3o2)ncc1O
InChIInChI=1S/C15H10BrNO3/c1-8-5-11(17-7-13(8)19)14-6-12(18)9-3-2-4-10(16)15(9)20-14/h2-7,19H,1H3
InChIKeySLWICXPZXCDSIS-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.63
Rot. Bonds1

About 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one

8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one (PubChem CID 162359766) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one
PubChem CID162359766
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one
SMILESCc1cc(-c2cc(=O)c3cccc(Br)c3o2)ncc1O
InChIInChI=1S/C15H10BrNO3/c1-8-5-11(17-7-13(8)19)14-6-12(18)9-3-2-4-10(16)15(9)20-14/h2-7,19H,1H3
InChIKeySLWICXPZXCDSIS-UHFFFAOYSA-N
XLogP3.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one?
The IUPAC name of 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one (CID 162359766) is 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one?
The canonical SMILES for 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one is Cc1cc(-c2cc(=O)c3cccc(Br)c3o2)ncc1O.
What is the InChIKey of 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one?
The InChIKey is SLWICXPZXCDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-5-11(17-7-13(8)19)14-6-12(18)9-3-2-4-10(16)15(9)20-14/h2-7,19H,1H3.
What are the key properties of 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one?
8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one has a molecular weight of 332.15 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(5-hydroxy-4-methyl-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 162359766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).