7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one

C12H4BrFINO2 — CID 67383179

IUPAC7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2cc(I)cnc2oc2ccc(Br)c(F)c12
InChIInChI=1S/C12H4BrFINO2/c13-7-1-2-8-9(10(7)14)11(17)6-3-5(15)4-16-12(6)18-8/h1-4H
InChIKeyMXEJOKQSSWWSIW-UHFFFAOYSA-N
MW419.98 g/mol
LogP3.85
Rot. Bonds

About 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one

7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one (PubChem CID 67383179) has the molecular formula C12H4BrFINO2 and a molecular weight of 419.98 g/mol. Its IUPAC name is 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one.

Molecular Properties

Compound Name7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one
PubChem CID67383179
Molecular FormulaC12H4BrFINO2
Molecular Weight419.98 g/mol
Exact Mass418.85
IUPAC Name7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one
SMILESO=c1c2cc(I)cnc2oc2ccc(Br)c(F)c12
InChIInChI=1S/C12H4BrFINO2/c13-7-1-2-8-9(10(7)14)11(17)6-3-5(15)4-16-12(6)18-8/h1-4H
InChIKeyMXEJOKQSSWWSIW-UHFFFAOYSA-N
XLogP3.85
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one?
The IUPAC name of 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one (CID 67383179) is 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one.
What is the SMILES notation for 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one?
The canonical SMILES for 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one is O=c1c2cc(I)cnc2oc2ccc(Br)c(F)c12.
What is the InChIKey of 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one?
The InChIKey is MXEJOKQSSWWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrFINO2/c13-7-1-2-8-9(10(7)14)11(17)6-3-5(15)4-16-12(6)18-8/h1-4H.
What are the key properties of 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one?
7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one has a molecular weight of 419.98 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoro-3-iodochromeno[2,3-b]pyridin-5-one is sourced from PubChem (CID 67383179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).