2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol

C14H11BrN2O3 — CID 683751

IUPAC2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
SMILESCc1cc(/C=N/c2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN2O3/c1-9-6-10(14(18)13(7-9)17(19)20)8-16-12-4-2-11(15)3-5-12/h2-8,18H,1H3/b16-8+
InChIKeySODUIFXRLCZCRO-LZYBPNLTSA-N
MW335.16 g/mol
LogP4.12
Rot. Bonds3

About 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol

2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol (PubChem CID 683751) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol.

Molecular Properties

Compound Name2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
PubChem CID683751
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol
SMILESCc1cc(/C=N/c2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C14H11BrN2O3/c1-9-6-10(14(18)13(7-9)17(19)20)8-16-12-4-2-11(15)3-5-12/h2-8,18H,1H3/b16-8+
InChIKeySODUIFXRLCZCRO-LZYBPNLTSA-N
XLogP4.12
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[4-[[4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]phenyl]methyl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
CID 4248797
2-[(5-bromo-2-pyridinyl)iminomethyl]-4-methyl-6-nitrophenol
CID 1421237
2-[(4-ethoxyphenyl)iminomethyl]-4-methyl-6-nitrophenol
CID 3590766
methyl 4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]benzoate
CID 4230242
2-[(E)-(6-bromo-1,3-benzothiazol-2-yl)iminomethyl]-4-methyl-6-nitrophenol
CID 135615670
butyl 4-[(2-hydroxy-5-methyl-3-nitrophenyl)methylideneamino]benzoate
CID 3682164
2-[[4-[bis(5-methylfuran-2-yl)methyl]phenyl]iminomethyl]-4-bromo-6-nitrophenol
CID 2753254
4-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]-2,6-ditert-butylphenol
CID 135590064
2-[[2-[(2S)-butan-2-yl]phenyl]iminomethyl]-4-methyl-6-nitrophenol
CID 959772
4-methyl-2-nitro-6-[(E)-1,2,4-triazol-4-yliminomethyl]phenol
CID 135421623
4-chloro-2-[(4-methoxyphenyl)iminomethyl]-6-nitrophenol
CID 135595071
N-(4-bromophenyl)-1-(6-nitro-1,3-benzodioxol-5-yl)methanimine
CID 684291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol?
The IUPAC name of 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol (CID 683751) is 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol.
What is the SMILES notation for 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol?
The canonical SMILES for 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol is Cc1cc(/C=N/c2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol?
The InChIKey is SODUIFXRLCZCRO-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-9-6-10(14(18)13(7-9)17(19)20)8-16-12-4-2-11(15)3-5-12/h2-8,18H,1H3/b16-8+.
What are the key properties of 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol?
2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol has a molecular weight of 335.16 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)iminomethyl]-4-methyl-6-nitrophenol is sourced from PubChem (CID 683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).