2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol

C13H8Br2N2O3 — CID 1286595

IUPAC2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C13H8Br2N2O3/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(6-10)17(19)20/h1-7,18H/b16-7+
InChIKeySTLNRTRPBCQCLO-FRKPEAEDSA-N
MW400.03 g/mol
LogP4.58
Rot. Bonds3

About 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol

2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol (PubChem CID 1286595) has the molecular formula C13H8Br2N2O3 and a molecular weight of 400.03 g/mol. Its IUPAC name is 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
PubChem CID1286595
Molecular FormulaC13H8Br2N2O3
Molecular Weight400.03 g/mol
Exact Mass397.89
IUPAC Name2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1
InChIInChI=1S/C13H8Br2N2O3/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(6-10)17(19)20/h1-7,18H/b16-7+
InChIKeySTLNRTRPBCQCLO-FRKPEAEDSA-N
XLogP4.58
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.03
LogP ≤ 54.58
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-dibromo-6-[(3-bromophenyl)iminomethyl]phenol
CID 1286585
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
CID 4305611
2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
CID 137138148
zinc bis(2-[(3-nitrophenyl)iminomethyl]phenolate)
CID 139056549
2,4-dibromo-6-[[4-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]phenol
CID 4655751
1-(2,3-dichlorophenyl)-N-(3-nitrophenyl)methanimine
CID 794832
2,4-dibromo-6-[[1-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylimidazol-2-yl]iminomethyl]phenol
CID 136861896
2-bromo-6-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]-4-nitrophenol
CID 137043467
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 135589181
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673
N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 1367251

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol (CID 1286595) is 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol is O=[N+]([O-])c1cccc(/N=C/c2cc(Br)cc(Br)c2O)c1.
What is the InChIKey of 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol?
The InChIKey is STLNRTRPBCQCLO-FRKPEAEDSA-N. The full InChI is InChI=1S/C13H8Br2N2O3/c14-9-4-8(13(18)12(15)5-9)7-16-10-2-1-3-11(6-10)17(19)20/h1-7,18H/b16-7+.
What are the key properties of 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol has a molecular weight of 400.03 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 1286595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).