5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one

C15H10F2N2O2 — CID 15007693

IUPAC5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one
SMILESNc1c(F)cc(-c2cc(=O)c3c(N)cccc3o2)cc1F
InChIInChI=1S/C15H10F2N2O2/c16-8-4-7(5-9(17)15(8)19)13-6-11(20)14-10(18)2-1-3-12(14)21-13/h1-6H,18-19H2
InChIKeyOIXXFJMVBWMELY-UHFFFAOYSA-N
MW288.25 g/mol
LogP2.90
Rot. Bonds1

About 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one

5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one (PubChem CID 15007693) has the molecular formula C15H10F2N2O2 and a molecular weight of 288.25 g/mol. Its IUPAC name is 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one
PubChem CID15007693
Molecular FormulaC15H10F2N2O2
Molecular Weight288.25 g/mol
Exact Mass288.07
IUPAC Name5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one
SMILESNc1c(F)cc(-c2cc(=O)c3c(N)cccc3o2)cc1F
InChIInChI=1S/C15H10F2N2O2/c16-8-4-7(5-9(17)15(8)19)13-6-11(20)14-10(18)2-1-3-12(14)21-13/h1-6H,18-19H2
InChIKeyOIXXFJMVBWMELY-UHFFFAOYSA-N
XLogP2.90
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.90
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-difluorophenyl)chromen-4-one?
The IUPAC name of 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one (CID 15007693) is 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one is Nc1c(F)cc(-c2cc(=O)c3c(N)cccc3o2)cc1F.
What is the InChIKey of 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one?
The InChIKey is OIXXFJMVBWMELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2/c16-8-4-7(5-9(17)15(8)19)13-6-11(20)14-10(18)2-1-3-12(14)21-13/h1-6H,18-19H2.
What are the key properties of 5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one?
5-amino-2-(4-amino-3,5-difluorophenyl)chromen-4-one has a molecular weight of 288.25 g/mol, XLogP of 2.90, 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-difluorophenyl)chromen-4-one is sourced from PubChem (CID 15007693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).