5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

C13H10BrN3O2 — CID 5331626

IUPAC5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(Br)ccc1O
InChIInChI=1S/C13H10BrN3O2/c14-10-3-4-12(18)11(6-10)13(19)17-16-8-9-2-1-5-15-7-9/h1-8,18H,(H,17,19)/b16-8+
InChIKeyXZJWMMVOHMNBGQ-LZYBPNLTSA-N
MW320.15 g/mol
LogP2.31
Rot. Bonds3

About 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide

5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (PubChem CID 5331626) has the molecular formula C13H10BrN3O2 and a molecular weight of 320.15 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
PubChem CID5331626
Molecular FormulaC13H10BrN3O2
Molecular Weight320.15 g/mol
Exact Mass319.00
IUPAC Name5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1cccnc1)c1cc(Br)ccc1O
InChIInChI=1S/C13H10BrN3O2/c14-10-3-4-12(18)11(6-10)13(19)17-16-8-9-2-1-5-15-7-9/h1-8,18H,(H,17,19)/b16-8+
InChIKeyXZJWMMVOHMNBGQ-LZYBPNLTSA-N
XLogP2.31
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Salinazid
CID 135400471
Flavoteben
CID 135400468
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
N'-[(1e)-(3,5-Dibromo-2,4-Dihydroxyphenyl)methylene]nicotinohydrazide
CID 135459112
6-Methyl-nicotinic acid (5-bromo-2-hydroxy-benzylidene)-hydrazide
CID 135533022
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721
5-bromo-2-hydroxy-N-[1-(2-pyridinyl)ethylideneamino]benzamide
CID 9566836
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]pyridine-4-carbohydrazide
CID 135460548
Acroteben
CID 5351737
N'-(5-bromo-2-hydroxybenzylidene)isonicotinohydrazide
CID 135480441
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6868779

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide (CID 5331626) is 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is O=C(N/N=C/c1cccnc1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
The InChIKey is XZJWMMVOHMNBGQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10BrN3O2/c14-10-3-4-12(18)11(6-10)13(19)17-16-8-9-2-1-5-15-7-9/h1-8,18H,(H,17,19)/b16-8+.
What are the key properties of 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide?
5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide has a molecular weight of 320.15 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide is sourced from PubChem (CID 5331626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).