2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol

C13H8BrN3O5 — CID 2838677

IUPAC2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1
InChIInChI=1S/C13H8BrN3O5/c14-11-6-10(17(21)22)1-3-12(11)15-7-8-5-9(16(19)20)2-4-13(8)18/h1-7,18H/b15-7+
InChIKeyCNMBANXIFWLIKG-VIZOYTHASA-N
MW366.13 g/mol
LogP3.72
Rot. Bonds4

About 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol

2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol (PubChem CID 2838677) has the molecular formula C13H8BrN3O5 and a molecular weight of 366.13 g/mol. Its IUPAC name is 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
PubChem CID2838677
Molecular FormulaC13H8BrN3O5
Molecular Weight366.13 g/mol
Exact Mass364.96
IUPAC Name2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1
InChIInChI=1S/C13H8BrN3O5/c14-11-6-10(17(21)22)1-3-12(11)15-7-8-5-9(16(19)20)2-4-13(8)18/h1-7,18H/b15-7+
InChIKeyCNMBANXIFWLIKG-VIZOYTHASA-N
XLogP3.72
TPSA118.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.13
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[(2-hydroxy-5-nitrophenyl)methylideneamino]-5-methylphenol
CID 3111519
2-[(4-chloro-2-fluorophenyl)iminomethyl]-4-nitrophenol
CID 135595304
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
2-[(2,5-dichlorophenyl)iminomethyl]-4-nitrophenol
CID 690802
N-(2-bromo-4-nitrophenyl)-1-(2,4-dichlorophenyl)methanimine
CID 633064
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
CID 136620756
CID 136620756
3-[(2-hydroxy-5-nitrophenyl)methylideneamino]-4-methylbenzoic acid
CID 137085922
2-[(2-anilino-5-nitrophenyl)iminomethyl]-4-bromophenol
CID 135764877
4-tert-butyl-2-chloro-6-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenolate
CID 135682525

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol (CID 2838677) is 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)c(Br)c1.
What is the InChIKey of 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is CNMBANXIFWLIKG-VIZOYTHASA-N. The full InChI is InChI=1S/C13H8BrN3O5/c14-11-6-10(17(21)22)1-3-12(11)15-7-8-5-9(16(19)20)2-4-13(8)18/h1-7,18H/b15-7+.
What are the key properties of 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol?
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol has a molecular weight of 366.13 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 2838677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).