5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one

C15H10Br2N2O2 — CID 10645222

IUPAC5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(Br)cc(Br)c3o2)cc1
InChIInChI=1S/C15H10Br2N2O2/c16-9-5-10(17)15-13(14(9)19)11(20)6-12(21-15)7-1-3-8(18)4-2-7/h1-6H,18-19H2
InChIKeyVHCHJJCYBBXOQI-UHFFFAOYSA-N
MW410.07 g/mol
LogP4.15
Rot. Bonds1

About 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one

5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one (PubChem CID 10645222) has the molecular formula C15H10Br2N2O2 and a molecular weight of 410.07 g/mol. Its IUPAC name is 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one
PubChem CID10645222
Molecular FormulaC15H10Br2N2O2
Molecular Weight410.07 g/mol
Exact Mass407.91
IUPAC Name5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one
SMILESNc1ccc(-c2cc(=O)c3c(N)c(Br)cc(Br)c3o2)cc1
InChIInChI=1S/C15H10Br2N2O2/c16-9-5-10(17)15-13(14(9)19)11(20)6-12(21-15)7-1-3-8(18)4-2-7/h1-6H,18-19H2
InChIKeyVHCHJJCYBBXOQI-UHFFFAOYSA-N
XLogP4.15
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.07
LogP ≤ 54.15
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-aminophenyl)-6,8-dibromochromen-4-one?
The IUPAC name of 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one (CID 10645222) is 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one.
What is the SMILES notation for 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one?
The canonical SMILES for 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one is Nc1ccc(-c2cc(=O)c3c(N)c(Br)cc(Br)c3o2)cc1.
What is the InChIKey of 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one?
The InChIKey is VHCHJJCYBBXOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O2/c16-9-5-10(17)15-13(14(9)19)11(20)6-12(21-15)7-1-3-8(18)4-2-7/h1-6H,18-19H2.
What are the key properties of 5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one?
5-amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one has a molecular weight of 410.07 g/mol, XLogP of 4.15, 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-aminophenyl)-6,8-dibromochromen-4-one is sourced from PubChem (CID 10645222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).