2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid

C14H9BrN2O5 — CID 5066193

IUPAC2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C14H9BrN2O5/c15-11-6-9(17(21)22)5-8(13(11)18)7-16-12-4-2-1-3-10(12)14(19)20/h1-7,18H,(H,19,20)/b16-7+
InChIKeyOMWYFMYSTUOHIW-FRKPEAEDSA-N
MW365.14 g/mol
LogP3.51
Rot. Bonds4

About 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid

2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid (PubChem CID 5066193) has the molecular formula C14H9BrN2O5 and a molecular weight of 365.14 g/mol. Its IUPAC name is 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
PubChem CID5066193
Molecular FormulaC14H9BrN2O5
Molecular Weight365.14 g/mol
Exact Mass363.97
IUPAC Name2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
SMILESO=C(O)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O
InChIInChI=1S/C14H9BrN2O5/c15-11-6-9(17(21)22)5-8(13(11)18)7-16-12-4-2-1-3-10(12)14(19)20/h1-7,18H,(H,19,20)/b16-7+
InChIKeyOMWYFMYSTUOHIW-FRKPEAEDSA-N
XLogP3.51
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 53.51
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'}

Analyze 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]benzoic acid
CID 3302132
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2-bromo-6-[[2-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137084935
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
CID 137138148
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
2-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]iminomethyl]-6-bromo-4-nitrophenol
CID 1125957
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]urea
CID 135504406
2-[[5-bromo-2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 18772896
2-[(4-nitrophenyl)methylideneamino]benzamide
CID 910209
2-[(2-nitrophenyl)methylideneamino]benzamide
CID 794642

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid?
The IUPAC name of 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid (CID 5066193) is 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid?
The canonical SMILES for 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid is O=C(O)c1ccccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1O.
What is the InChIKey of 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid?
The InChIKey is OMWYFMYSTUOHIW-FRKPEAEDSA-N. The full InChI is InChI=1S/C14H9BrN2O5/c15-11-6-9(17(21)22)5-8(13(11)18)7-16-12-4-2-1-3-10(12)14(19)20/h1-7,18H,(H,19,20)/b16-7+.
What are the key properties of 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid?
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid has a molecular weight of 365.14 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 5066193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).