1-(4-bromo-2-nitrophenyl)ethanimine

C8H7BrN2O2 — CID 90202118

IUPAC1-(4-bromo-2-nitrophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O2/c1-5(10)7-3-2-6(9)4-8(7)11(12)13/h2-4,10H,1H3/b10-5+
InChIKeyFDUIJVFUQFXKBE-BJMVGYQFSA-N
MW243.06 g/mol
LogP2.75
Rot. Bonds2

About 1-(4-bromo-2-nitrophenyl)ethanimine

1-(4-bromo-2-nitrophenyl)ethanimine (PubChem CID 90202118) has the molecular formula C8H7BrN2O2 and a molecular weight of 243.06 g/mol. Its IUPAC name is 1-(4-bromo-2-nitrophenyl)ethanimine.

Molecular Properties

Compound Name1-(4-bromo-2-nitrophenyl)ethanimine
PubChem CID90202118
Molecular FormulaC8H7BrN2O2
Molecular Weight243.06 g/mol
Exact Mass241.97
IUPAC Name1-(4-bromo-2-nitrophenyl)ethanimine
SMILES[H]/N=C(\C)c1ccc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C8H7BrN2O2/c1-5(10)7-3-2-6(9)4-8(7)11(12)13/h2-4,10H,1H3/b10-5+
InChIKeyFDUIJVFUQFXKBE-BJMVGYQFSA-N
XLogP2.75
TPSA66.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 52.75
H-Bond Donors ≤ 51
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

ethyl (E)-2-(4-bromo-2-nitrophenyl)-3-hydroxybut-2-enoate
CID 169304908
sodium;4-bromo-1-methyl-2-nitrobenzene;hydride
CID 174661083
1-bromo-1-(4-bromo-2-nitrophenyl)propan-2-one
CID 131270198
4-bromo-2-nitrobenzoic acid;piperidine
CID 157164606
(E)-4-(4-bromo-2-nitrophenyl)but-3-en-2-one
CID 114385821
(4-bromo-2-nitrophenyl) ethaneperoxoate
CID 87725155
4-bromo-2-nitro-N-(propan-2-ylideneamino)aniline
CID 53443200
4-bromo-2-(2-bromo-3-nitrophenoxy)benzenecarboximidamide
CID 114904941
4-bromo-1-[(4-bromo-2-nitrophenyl)diselanyl]-2-nitrobenzene
CID 140870774
(4-bromo-2-ethanimidoylanilino)thallium;ethane
CID 144844659
2-(4-bromo-2-nitrobenzoyl)-3-ethoxy-3-oxopropanoic acid
CID 71120461
(Z)-3-(4-bromo-2-nitrophenyl)-2-cyano-3-hydroxy-N,N-dimethylprop-2-enamide
CID 54716786

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-nitrophenyl)ethanimine?
The IUPAC name of 1-(4-bromo-2-nitrophenyl)ethanimine (CID 90202118) is 1-(4-bromo-2-nitrophenyl)ethanimine.
What is the SMILES notation for 1-(4-bromo-2-nitrophenyl)ethanimine?
The canonical SMILES for 1-(4-bromo-2-nitrophenyl)ethanimine is [H]/N=C(\C)c1ccc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-(4-bromo-2-nitrophenyl)ethanimine?
The InChIKey is FDUIJVFUQFXKBE-BJMVGYQFSA-N. The full InChI is InChI=1S/C8H7BrN2O2/c1-5(10)7-3-2-6(9)4-8(7)11(12)13/h2-4,10H,1H3/b10-5+.
What are the key properties of 1-(4-bromo-2-nitrophenyl)ethanimine?
1-(4-bromo-2-nitrophenyl)ethanimine has a molecular weight of 243.06 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-nitrophenyl)ethanimine is sourced from PubChem (CID 90202118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).