(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine

C9H8Cl2N2O3 — CID 131393207

IUPAC(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c(Cl)cc(Cl)c([N+](=O)[O-])c21
InChIInChI=1S/C9H8Cl2N2O3/c10-4-3-5(11)9-7(8(4)13(14)15)6(12)1-2-16-9/h3,6H,1-2,12H2/t6-/m1/s1
InChIKeySDXUPOKKQPXDHY-ZCFIWIBFSA-N
MW263.08 g/mol
LogP2.68
Rot. Bonds1

About (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine

(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 131393207) has the molecular formula C9H8Cl2N2O3 and a molecular weight of 263.08 g/mol. Its IUPAC name is (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
PubChem CID131393207
Molecular FormulaC9H8Cl2N2O3
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CCOc2c(Cl)cc(Cl)c([N+](=O)[O-])c21
InChIInChI=1S/C9H8Cl2N2O3/c10-4-3-5(11)9-7(8(4)13(14)15)6(12)1-2-16-9/h3,6H,1-2,12H2/t6-/m1/s1
InChIKeySDXUPOKKQPXDHY-ZCFIWIBFSA-N
XLogP2.68
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.68
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

(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 131151157
8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4R)-5-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252428
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
1,5-dichloro-2,3,4-trinitrobenzene
CID 172863590
(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131600145
(4R)-6-bromo-8-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131471040
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(3R)-7-chloro-4-nitro-2,3-dihydro-1-benzofuran-3-amine
CID 130707398
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
CID 130044464
(4S)-5,6,8-trichloro-3,4-dihydro-2H-chromen-4-ol
CID 79014196

Frequently Asked Questions

What is the IUPAC name of (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine (CID 131393207) is (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CCOc2c(Cl)cc(Cl)c([N+](=O)[O-])c21.
What is the InChIKey of (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is SDXUPOKKQPXDHY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H8Cl2N2O3/c10-4-3-5(11)9-7(8(4)13(14)15)6(12)1-2-16-9/h3,6H,1-2,12H2/t6-/m1/s1.
What are the key properties of (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine?
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 263.08 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 131393207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).