4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol

C13H8BrFN2O3 — CID 707848

IUPAC4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(F)c(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-1-4-13(18)8(5-9)7-16-12-6-10(17(19)20)2-3-11(12)15/h1-7,18H/b16-7+
InChIKeyLLDCWDPSYKJBPL-FRKPEAEDSA-N
MW339.12 g/mol
LogP3.95
Rot. Bonds3

About 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol

4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol (PubChem CID 707848) has the molecular formula C13H8BrFN2O3 and a molecular weight of 339.12 g/mol. Its IUPAC name is 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol
PubChem CID707848
Molecular FormulaC13H8BrFN2O3
Molecular Weight339.12 g/mol
Exact Mass337.97
IUPAC Name4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(F)c(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C13H8BrFN2O3/c14-9-1-4-13(18)8(5-9)7-16-12-6-10(17(19)20)2-3-11(12)15/h1-7,18H/b16-7+
InChIKeyLLDCWDPSYKJBPL-FRKPEAEDSA-N
XLogP3.95
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 53.95
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

Alpha-(3-nitrophenylimino)-ortho-cresol
CID 292413
4-bromo-2-{(E)-[(2-fluorophenyl)imino]methyl}phenol
CID 710140
N-(5-Bromo-2-hydroxybenzylidene)-2-hydroxyaniline
CID 352427
2-Bromo-4-[({3-nitro-2-methylphenyl}imino)methyl]phenol
CID 831223
4-bromo-2-[(E)-(phenylimino)methyl]phenol
CID 305088
2,4-Dibromo-6-((2-fluoro-phenylimino)-methyl)-phenol
CID 1286581
Phenol, 2-(3-fluorophenyliminomethyl)-4-nitro-
CID 621303
4-Bromo-2-(O-tolylimino-methyl)-phenol
CID 271522
2,4-Dibromo-6-{(E)-[(2-hydroxy-5-nitrophenyl)imino]methyl}phenol
CID 4020983
Alpha-(5-nitro-O-tolylimino)-O-cresol
CID 794593
2-Bromo-6-[(3-ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335185
4-Bromo-2-({[3-(trifluoromethyl)phenyl]imino}methyl)phenol
CID 305092

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol (CID 707848) is 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1ccc(F)c(/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol?
The InChIKey is LLDCWDPSYKJBPL-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8BrFN2O3/c14-9-1-4-13(18)8(5-9)7-16-12-6-10(17(19)20)2-3-11(12)15/h1-7,18H/b16-7+.
What are the key properties of 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol?
4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol has a molecular weight of 339.12 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-fluoro-5-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 707848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).