5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one

C15H8Br2F2N2O2 — CID 19434996

IUPAC5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one
SMILESNc1c(Br)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1Br
InChIInChI=1S/C15H8Br2F2N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2
InChIKeyVEHGSAGGVHQWJO-UHFFFAOYSA-N
MW446.05 g/mol
LogP4.43
Rot. Bonds1

About 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one

5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one (PubChem CID 19434996) has the molecular formula C15H8Br2F2N2O2 and a molecular weight of 446.05 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one
PubChem CID19434996
Molecular FormulaC15H8Br2F2N2O2
Molecular Weight446.05 g/mol
Exact Mass443.89
IUPAC Name5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one
SMILESNc1c(Br)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1Br
InChIInChI=1S/C15H8Br2F2N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2
InChIKeyVEHGSAGGVHQWJO-UHFFFAOYSA-N
XLogP4.43
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.05
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one (CID 19434996) is 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one is Nc1c(Br)cc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1Br.
What is the InChIKey of 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one?
The InChIKey is VEHGSAGGVHQWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2F2N2O2/c16-6-1-5(2-7(17)13(6)20)11-4-10(22)12-14(21)8(18)3-9(19)15(12)23-11/h1-4H,20-21H2.
What are the key properties of 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one?
5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one has a molecular weight of 446.05 g/mol, XLogP of 4.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-amino-3,5-dibromophenyl)-6,8-difluorochromen-4-one is sourced from PubChem (CID 19434996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).