3-amino-6-bromo-2,3-dihydrochromen-4-one

C9H8BrNO2 — CID 71390958

IUPAC3-amino-6-bromo-2,3-dihydrochromen-4-one
SMILESNC1COc2ccc(Br)cc2C1=O
InChIInChI=1S/C9H8BrNO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-3,7H,4,11H2
InChIKeyQASJDHIXOGFJAM-UHFFFAOYSA-N
MW242.07 g/mol
LogP1.35
Rot. Bonds

About 3-amino-6-bromo-2,3-dihydrochromen-4-one

3-amino-6-bromo-2,3-dihydrochromen-4-one (PubChem CID 71390958) has the molecular formula C9H8BrNO2 and a molecular weight of 242.07 g/mol. Its IUPAC name is 3-amino-6-bromo-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-amino-6-bromo-2,3-dihydrochromen-4-one
PubChem CID71390958
Molecular FormulaC9H8BrNO2
Molecular Weight242.07 g/mol
Exact Mass240.97
IUPAC Name3-amino-6-bromo-2,3-dihydrochromen-4-one
SMILESNC1COc2ccc(Br)cc2C1=O
InChIInChI=1S/C9H8BrNO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-3,7H,4,11H2
InChIKeyQASJDHIXOGFJAM-UHFFFAOYSA-N
XLogP1.35
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-bromo-2,3-dihydrochromen-4-one?
The IUPAC name of 3-amino-6-bromo-2,3-dihydrochromen-4-one (CID 71390958) is 3-amino-6-bromo-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-amino-6-bromo-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-amino-6-bromo-2,3-dihydrochromen-4-one is NC1COc2ccc(Br)cc2C1=O.
What is the InChIKey of 3-amino-6-bromo-2,3-dihydrochromen-4-one?
The InChIKey is QASJDHIXOGFJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO2/c10-5-1-2-8-6(3-5)9(12)7(11)4-13-8/h1-3,7H,4,11H2.
What are the key properties of 3-amino-6-bromo-2,3-dihydrochromen-4-one?
3-amino-6-bromo-2,3-dihydrochromen-4-one has a molecular weight of 242.07 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-bromo-2,3-dihydrochromen-4-one is sourced from PubChem (CID 71390958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).