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

C14H6Br2FNO3 — CID 162359803

IUPAC6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H6Br2FNO3/c15-6-3-7-11(20)5-12(21-13(7)8(16)4-6)9-1-2-10(19)14(17)18-9/h1-5,19H
InChIKeyDMUZFWBWCJJTPC-UHFFFAOYSA-N
MW415.01 g/mol
LogP4.22
Rot. Bonds1

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

6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one (PubChem CID 162359803) has the molecular formula C14H6Br2FNO3 and a molecular weight of 415.01 g/mol. Its IUPAC name is 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
PubChem CID162359803
Molecular FormulaC14H6Br2FNO3
Molecular Weight415.01 g/mol
Exact Mass412.87
IUPAC Name6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cc(Br)cc12
InChIInChI=1S/C14H6Br2FNO3/c15-6-3-7-11(20)5-12(21-13(7)8(16)4-6)9-1-2-10(19)14(17)18-9/h1-5,19H
InChIKeyDMUZFWBWCJJTPC-UHFFFAOYSA-N
XLogP4.22
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.01
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The IUPAC name of 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one (CID 162359803) is 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The canonical SMILES for 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one is O=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The InChIKey is DMUZFWBWCJJTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Br2FNO3/c15-6-3-7-11(20)5-12(21-13(7)8(16)4-6)9-1-2-10(19)14(17)18-9/h1-5,19H.
What are the key properties of 6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
6,8-dibromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one has a molecular weight of 415.01 g/mol, XLogP of 4.22, 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-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 162359803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).