4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

C12H10BrN3O2 — CID 135511245

IUPAC4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1O
InChIInChI=1S/C12H10BrN3O2/c13-8-3-4-10(11(17)6-8)12(18)16-15-7-9-2-1-5-14-9/h1-7,14,17H,(H,16,18)/b15-7+
InChIKeyAWVLIMOQGLBGER-VIZOYTHASA-N
MW308.14 g/mol
LogP2.25
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide

4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (PubChem CID 135511245) has the molecular formula C12H10BrN3O2 and a molecular weight of 308.14 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
PubChem CID135511245
Molecular FormulaC12H10BrN3O2
Molecular Weight308.14 g/mol
Exact Mass307.00
IUPAC Name4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1O
InChIInChI=1S/C12H10BrN3O2/c13-8-3-4-10(11(17)6-8)12(18)16-15-7-9-2-1-5-14-9/h1-7,14,17H,(H,16,18)/b15-7+
InChIKeyAWVLIMOQGLBGER-VIZOYTHASA-N
XLogP2.25
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-N'-(1H-indol-3-ylmethylene)benzohydrazide
CID 135643123
5-bromo-2-hydroxy-N-[1-(2-pyridinyl)ethylideneamino]benzamide
CID 9566836
Benzoic acid, 2-hydroxy-, (1H-pyrrol-2-ylmethylene)hydrazide
CID 135409855
5-bromo-2-hydroxy-N'-[(1E)-pyridin-3-ylmethylene]benzohydrazide
CID 5331626
5-Bromo-2-hydroxy-N'-[(E)-(6-methylpyridin-2-YL)methylidene]benzohydrazide
CID 9611081
1-(4-Bromo-2-hydroxyphenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 6263971
4-hydroxy-N'-(1H-pyrrol-2-ylmethylene)benzohydrazide
CID 135403083
5-bromo-2-hydroxy-N-[(E)-1H-indol-2-ylmethylideneamino]benzamide
CID 136122543
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
2-hydroxy-N'-[(1Z)-pyridin-2-ylmethylene]benzohydrazide
CID 5370915
5-bromo-2-hydroxy-N'-[(E)-1H-indol-3-ylmethylidene]benzohydrazide
CID 135567681
4-bromo-2-hydroxy-N-[(E)-1-(1H-indol-2-yl)ethylideneamino]benzamide
CID 136122496

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide (CID 135511245) is 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc[nH]1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
The InChIKey is AWVLIMOQGLBGER-VIZOYTHASA-N. The full InChI is InChI=1S/C12H10BrN3O2/c13-8-3-4-10(11(17)6-8)12(18)16-15-7-9-2-1-5-14-9/h1-7,14,17H,(H,16,18)/b15-7+.
What are the key properties of 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide?
4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide has a molecular weight of 308.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 135511245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).