N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine

C13H8Br2N2O2 — CID 11773531

IUPACN-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1cc(Br)cc(Br)c1/N=C/c1ccccc1
InChIInChI=1S/C13H8Br2N2O2/c14-10-6-11(15)13(12(7-10)17(18)19)16-8-9-4-2-1-3-5-9/h1-8H/b16-8+
InChIKeyQILNUVKOHHQWDS-LZYBPNLTSA-N
MW384.03 g/mol
LogP4.87
Rot. Bonds3

About N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine

N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine (PubChem CID 11773531) has the molecular formula C13H8Br2N2O2 and a molecular weight of 384.03 g/mol. Its IUPAC name is N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine
PubChem CID11773531
Molecular FormulaC13H8Br2N2O2
Molecular Weight384.03 g/mol
Exact Mass381.90
IUPAC NameN-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine
SMILESO=[N+]([O-])c1cc(Br)cc(Br)c1/N=C/c1ccccc1
InChIInChI=1S/C13H8Br2N2O2/c14-10-6-11(15)13(12(7-10)17(18)19)16-8-9-4-2-1-3-5-9/h1-8H/b16-8+
InChIKeyQILNUVKOHHQWDS-LZYBPNLTSA-N
XLogP4.87
TPSA55.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.03
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,5-dibromo-2-isocyanato-3-nitrobenzene
CID 169352232
3,5-dibromo-4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]phenol
CID 3465048
N-(2,3-dimethyl-4-nitrophenyl)-1-phenylmethanimine
CID 67942352
2-(benzylideneamino)-6-nitro-4-(trifluoromethyl)aniline
CID 10870577
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoic acid
CID 3302132
N-[(E)-(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135604353
3-bromo-1-nitronaphthalene
CID 826291
N-(2-chloro-4-nitrophenyl)-1-phenylmethanimine
CID 95564004
1-bromo-2-nitrobenzene
CID 158366116
(E)-N-[(E)-(4-nitrophenyl)methylideneamino]-1-phenylmethanimine
CID 139599955
4-bromo-2-nitro-1-[(E)-3-phenylprop-2-enoxy]benzene
CID 63462553

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine?
The IUPAC name of N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine (CID 11773531) is N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine is O=[N+]([O-])c1cc(Br)cc(Br)c1/N=C/c1ccccc1.
What is the InChIKey of N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine?
The InChIKey is QILNUVKOHHQWDS-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H8Br2N2O2/c14-10-6-11(15)13(12(7-10)17(18)19)16-8-9-4-2-1-3-5-9/h1-8H/b16-8+.
What are the key properties of N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine?
N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine has a molecular weight of 384.03 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromo-6-nitrophenyl)-1-phenylmethanimine is sourced from PubChem (CID 11773531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).