5-amino-2-(4-bromophenyl)chromen-4-one

C15H10BrNO2 — CID 10495586

IUPAC5-amino-2-(4-bromophenyl)chromen-4-one
SMILESNc1cccc2oc(-c3ccc(Br)cc3)cc(=O)c12
InChIInChI=1S/C15H10BrNO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H,17H2
InChIKeyHFQBELSXAGCZME-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.80
Rot. Bonds1

About 5-amino-2-(4-bromophenyl)chromen-4-one

5-amino-2-(4-bromophenyl)chromen-4-one (PubChem CID 10495586) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 5-amino-2-(4-bromophenyl)chromen-4-one.

Molecular Properties

Compound Name5-amino-2-(4-bromophenyl)chromen-4-one
PubChem CID10495586
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name5-amino-2-(4-bromophenyl)chromen-4-one
SMILESNc1cccc2oc(-c3ccc(Br)cc3)cc(=O)c12
InChIInChI=1S/C15H10BrNO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H,17H2
InChIKeyHFQBELSXAGCZME-UHFFFAOYSA-N
XLogP3.80
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-(4-aminophenyl)chromen-4-one
CID 10422310
5-Amino-2-(4-amino-3,5-difluorophenyl)-6,8-difluorochromen-4-one
CID 10592039
5-Amino-2-(4-aminophenyl)-6-fluorochromen-4-one
CID 10683448
5-Amino-2-(4-aminophenyl)-8-fluorochromen-4-one
CID 10754491
5-Amino-2-(4-amino-3-fluorophenyl)-7-bromo-6,8-difluorochromen-4-one
CID 10786298
4'-Aminoflavone
CID 177048
5-Amino-2-(4-amino-3-fluorophenyl)-8-methylchromen-4-one
CID 10731744
5-Amino-2-(4-hydroxyphenyl)chromen-4-one
CID 10562817
5-Amino-2-(4-aminophenyl)-6,8-dibromochromen-4-one
CID 10645222
7-Aminoflavone
CID 16217321

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-bromophenyl)chromen-4-one?
The IUPAC name of 5-amino-2-(4-bromophenyl)chromen-4-one (CID 10495586) is 5-amino-2-(4-bromophenyl)chromen-4-one.
What is the SMILES notation for 5-amino-2-(4-bromophenyl)chromen-4-one?
The canonical SMILES for 5-amino-2-(4-bromophenyl)chromen-4-one is Nc1cccc2oc(-c3ccc(Br)cc3)cc(=O)c12.
What is the InChIKey of 5-amino-2-(4-bromophenyl)chromen-4-one?
The InChIKey is HFQBELSXAGCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8H,17H2.
What are the key properties of 5-amino-2-(4-bromophenyl)chromen-4-one?
5-amino-2-(4-bromophenyl)chromen-4-one has a molecular weight of 316.15 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-bromophenyl)chromen-4-one is sourced from PubChem (CID 10495586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).