7-amino-3,8-dibromo-4-methylchromen-2-one

C10H7Br2NO2 — CID 24799084

IUPAC7-amino-3,8-dibromo-4-methylchromen-2-one
SMILESCc1c(Br)c(=O)oc2c(Br)c(N)ccc12
InChIInChI=1S/C10H7Br2NO2/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3H,13H2,1H3
InChIKeyYTVHPFYTUFSNLE-UHFFFAOYSA-N
MW332.98 g/mol
LogP3.21
Rot. Bonds

About 7-amino-3,8-dibromo-4-methylchromen-2-one

7-amino-3,8-dibromo-4-methylchromen-2-one (PubChem CID 24799084) has the molecular formula C10H7Br2NO2 and a molecular weight of 332.98 g/mol. Its IUPAC name is 7-amino-3,8-dibromo-4-methylchromen-2-one.

Molecular Properties

Compound Name7-amino-3,8-dibromo-4-methylchromen-2-one
PubChem CID24799084
Molecular FormulaC10H7Br2NO2
Molecular Weight332.98 g/mol
Exact Mass330.88
IUPAC Name7-amino-3,8-dibromo-4-methylchromen-2-one
SMILESCc1c(Br)c(=O)oc2c(Br)c(N)ccc12
InChIInChI=1S/C10H7Br2NO2/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3H,13H2,1H3
InChIKeyYTVHPFYTUFSNLE-UHFFFAOYSA-N
XLogP3.21
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.98
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3,8-dibromo-4-methylchromen-2-one?
The IUPAC name of 7-amino-3,8-dibromo-4-methylchromen-2-one (CID 24799084) is 7-amino-3,8-dibromo-4-methylchromen-2-one.
What is the SMILES notation for 7-amino-3,8-dibromo-4-methylchromen-2-one?
The canonical SMILES for 7-amino-3,8-dibromo-4-methylchromen-2-one is Cc1c(Br)c(=O)oc2c(Br)c(N)ccc12.
What is the InChIKey of 7-amino-3,8-dibromo-4-methylchromen-2-one?
The InChIKey is YTVHPFYTUFSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2NO2/c1-4-5-2-3-6(13)8(12)9(5)15-10(14)7(4)11/h2-3H,13H2,1H3.
What are the key properties of 7-amino-3,8-dibromo-4-methylchromen-2-one?
7-amino-3,8-dibromo-4-methylchromen-2-one has a molecular weight of 332.98 g/mol, XLogP of 3.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,8-dibromo-4-methylchromen-2-one is sourced from PubChem (CID 24799084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).