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

C9H9BrN2O3 — CID 131600145

IUPAC(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2c(Br)cc([N+](=O)[O-])cc21
InChIInChI=1S/C9H9BrN2O3/c10-7-4-5(12(13)14)3-6-8(11)1-2-15-9(6)7/h3-4,8H,1-2,11H2/t8-/m0/s1
InChIKeyUJQODHAIFMTDFM-QMMMGPOBSA-N
MW273.09 g/mol
LogP2.14
Rot. Bonds1

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

(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131600145) has the molecular formula C9H9BrN2O3 and a molecular weight of 273.09 g/mol. Its IUPAC name is (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
PubChem CID131600145
Molecular FormulaC9H9BrN2O3
Molecular Weight273.09 g/mol
Exact Mass271.98
IUPAC Name(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CCOc2c(Br)cc([N+](=O)[O-])cc21
InChIInChI=1S/C9H9BrN2O3/c10-7-4-5(12(13)14)3-6-8(11)1-2-15-9(6)7/h3-4,8H,1-2,11H2/t8-/m0/s1
InChIKeyUJQODHAIFMTDFM-QMMMGPOBSA-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'}

Analyze (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131471040
(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
CID 131275088
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
7-bromo-5-nitro-2,3-dihydro-1-benzofuran
CID 18787034
(4R)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252428
(4S)-4-amino-N-(3,4-difluorophenyl)-6-nitro-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348572
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131393207
(1R)-6-nitro-2,3-dihydro-1H-inden-1-amine
CID 55278481
(4S)-7-bromo-8-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252194
(4R)-4-(3-bromo-2-hydroxy-5-nitrophenyl)imidazolidin-2-one
CID 171252621

Frequently Asked Questions

What is the IUPAC name of (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine (CID 131600145) is (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CCOc2c(Br)cc([N+](=O)[O-])cc21.
What is the InChIKey of (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is UJQODHAIFMTDFM-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9BrN2O3/c10-7-4-5(12(13)14)3-6-8(11)1-2-15-9(6)7/h3-4,8H,1-2,11H2/t8-/m0/s1.
What are the key properties of (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine?
(4S)-8-bromo-6-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 (4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131600145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).