(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine

C9H9Br2NO — CID 72942879

IUPAC(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2cc(Br)cc(Br)c21
InChIInChI=1S/C9H9Br2NO/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7H,1-2,12H2/t7-/m1/s1
InChIKeyCAOLVCMMOQJLSX-SSDOTTSWSA-N
MW306.99 g/mol
LogP2.99
Rot. Bonds

About (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine

(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine (PubChem CID 72942879) has the molecular formula C9H9Br2NO and a molecular weight of 306.99 g/mol. Its IUPAC name is (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
PubChem CID72942879
Molecular FormulaC9H9Br2NO
Molecular Weight306.99 g/mol
Exact Mass304.91
IUPAC Name(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2cc(Br)cc(Br)c21
InChIInChI=1S/C9H9Br2NO/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7H,1-2,12H2/t7-/m1/s1
InChIKeyCAOLVCMMOQJLSX-SSDOTTSWSA-N
XLogP2.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine (CID 72942879) is (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2cc(Br)cc(Br)c21.
What is the InChIKey of (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is CAOLVCMMOQJLSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9Br2NO/c10-5-3-6(11)9-7(12)1-2-13-8(9)4-5/h3-4,7H,1-2,12H2/t7-/m1/s1.
What are the key properties of (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine?
(4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 306.99 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,7-dibromo-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 72942879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).