4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol

C13H9BrN2O4 — CID 3275293

IUPAC4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(O)cc2)c1O
InChIInChI=1S/C13H9BrN2O4/c14-9-5-8(13(18)12(6-9)16(19)20)7-15-10-1-3-11(17)4-2-10/h1-7,17-18H/b15-7+
InChIKeyOHMKYCXZOFVJIV-VIZOYTHASA-N
MW337.13 g/mol
LogP3.52
Rot. Bonds3

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

4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol (PubChem CID 3275293) has the molecular formula C13H9BrN2O4 and a molecular weight of 337.13 g/mol. Its IUPAC name is 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol
PubChem CID3275293
Molecular FormulaC13H9BrN2O4
Molecular Weight337.13 g/mol
Exact Mass335.97
IUPAC Name4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(O)cc2)c1O
InChIInChI=1S/C13H9BrN2O4/c14-9-5-8(13(18)12(6-9)16(19)20)7-15-10-1-3-11(17)4-2-10/h1-7,17-18H/b15-7+
InChIKeyOHMKYCXZOFVJIV-VIZOYTHASA-N
XLogP3.52
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.13
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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CID 86287521
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CID 709231
2-allyl-3-[[(E)-(3-bromo-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]isothiourea
CID 135635749
(6E)-6-(anilinomethylidene)-4-nitrocyclohexa-2,4-dien-1-one
CID 271526
2,4-Dibromo-6-{(E)-[(2-hydroxy-5-nitrophenyl)imino]methyl}phenol
CID 4020983
4-Nitro-2-{(E)-[(3-nitrophenyl)methylidene]amino}phenol
CID 310081
2-Bromo-6-[(3-ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335185
2-{(E)-[(2-hydroxyphenyl)imino]methyl}-4-nitrophenol
CID 3252917
(E)-2-((4-hydroxyphenylimino)methyl)-4-nitrophenol
CID 3330310
2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol
CID 25763
2,4-dibromo-6-{(E)-[(2-hydroxyphenyl)imino]methyl}phenol
CID 1286577

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol?
The IUPAC name of 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol (CID 3275293) is 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cc(Br)cc(/C=N/c2ccc(O)cc2)c1O.
What is the InChIKey of 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol?
The InChIKey is OHMKYCXZOFVJIV-VIZOYTHASA-N. The full InChI is InChI=1S/C13H9BrN2O4/c14-9-5-8(13(18)12(6-9)16(19)20)7-15-10-1-3-11(17)4-2-10/h1-7,17-18H/b15-7+.
What are the key properties of 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol?
4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol has a molecular weight of 337.13 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-hydroxyphenyl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 3275293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).