(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine

C9H9BrN2O3 — CID 131471040

IUPAC(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c1cc(Br)cc2[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O3/c10-5-3-6-7(11)1-2-15-9(6)8(4-5)12(13)14/h3-4,7H,1-2,11H2/t7-/m1/s1
InChIKeyHNTFVROAUKBGCN-SSDOTTSWSA-N
MW273.09 g/mol
LogP2.14
Rot. Bonds1

About (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine

(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131471040) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
PubChem CID131471040
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c1cc(Br)cc2[N+](=O)[O-]
InChIInChI=1S/C9H9BrN2O3/c10-5-3-6-7(11)1-2-15-9(6)8(4-5)12(13)14/h3-4,7H,1-2,11H2/t7-/m1/s1
InChIKeyHNTFVROAUKBGCN-SSDOTTSWSA-N
XLogP2.14
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131600145
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4R)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252428
2-[(2S)-azetidin-2-yl]-4-bromo-6-nitrophenol
CID 131268033
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 131275088
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131393207
(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
CID 130665310
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4S)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 42220750
7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 55294579
(3R)-7-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 130686465

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine (CID 131471040) is (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2c1cc(Br)cc2[N+](=O)[O-].
What is the InChIKey of (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HNTFVROAUKBGCN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c10-5-3-6-7(11)1-2-15-9(6)8(4-5)12(13)14/h3-4,7H,1-2,11H2/t7-/m1/s1.
What are the key properties of (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 273.09 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131471040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).