2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol

C13H7BrF2N2O3 — CID 137076529

IUPAC2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(F)cc2F)c1
InChIInChI=1S/C13H7BrF2N2O3/c14-10-5-9(18(20)21)3-7(13(10)19)6-17-12-2-1-8(15)4-11(12)16/h1-6,19H/b17-6+
InChIKeyIWOFRAWLXYMCNE-UBKPWBPPSA-N
MW357.11 g/mol
LogP4.09
Rot. Bonds3

About 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol

2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol (PubChem CID 137076529) has the molecular formula C13H7BrF2N2O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol
PubChem CID137076529
Molecular FormulaC13H7BrF2N2O3
Molecular Weight357.11 g/mol
Exact Mass355.96
IUPAC Name2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(F)cc2F)c1
InChIInChI=1S/C13H7BrF2N2O3/c14-10-5-9(18(20)21)3-7(13(10)19)6-17-12-2-1-8(15)4-11(12)16/h1-6,19H/b17-6+
InChIKeyIWOFRAWLXYMCNE-UBKPWBPPSA-N
XLogP4.09
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 54.09
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

(6E)-6-(anilinomethylidene)-4-nitrocyclohexa-2,4-dien-1-one
CID 271526
Phenol, 2-(3-fluorophenyliminomethyl)-4-nitro-
CID 621303
2-Bromo-6-[(3-ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335185
(E)-2-((4-hydroxyphenylimino)methyl)-4-nitrophenol
CID 3330310
4-Nitro-2-((4-trifluoromethyl-phenylimino)-methyl)-phenol
CID 3607669
2-{(1E)-2-[3-(trifluoromethyl)phenyl]-2-azavinyl}-4-nitrophenol
CID 4421484
4-Nitro-2-[[2-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 155262231
2-{[(4-Fluorophenyl)imino]methyl}-4-nitrophenol
CID 710206
4-bromo-2-{(E)-[(2-fluoro-5-nitrophenyl)imino]methyl}phenol
CID 707848
2,4-Dibromo-6-[[2-fluoro-5-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 162645521
4-Bromo-2-{[(4-bromophenyl)imino]methyl}-6-nitrophenol
CID 1042079
4-Bromo-2-nitro-6-[({4-nitrophenyl}imino)methyl]phenol
CID 3908041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol (CID 137076529) is 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol is O=[N+]([O-])c1cc(Br)c(O)c(/C=N/c2ccc(F)cc2F)c1.
What is the InChIKey of 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol?
The InChIKey is IWOFRAWLXYMCNE-UBKPWBPPSA-N. The full InChI is InChI=1S/C13H7BrF2N2O3/c14-10-5-9(18(20)21)3-7(13(10)19)6-17-12-2-1-8(15)4-11(12)16/h1-6,19H/b17-6+.
What are the key properties of 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol?
2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol has a molecular weight of 357.11 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(2,4-difluorophenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 137076529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).