N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

C13H9Br2N3O2 — CID 135460548

IUPACN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccncc1
InChIInChI=1S/C13H9Br2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+
InChIKeyFGPBIVINUBCOLK-REZTVBANSA-N
MW399.04 g/mol
LogP3.08
Rot. Bonds3

About N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 135460548) has the molecular formula C13H9Br2N3O2 and a molecular weight of 399.04 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID135460548
Molecular FormulaC13H9Br2N3O2
Molecular Weight399.04 g/mol
Exact Mass396.91
IUPAC NameN-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccncc1
InChIInChI=1S/C13H9Br2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+
InChIKeyFGPBIVINUBCOLK-REZTVBANSA-N
XLogP3.08
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.04
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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
5-bromo-2-hydroxy-N-[1-(2-pyridinyl)ethylideneamino]benzamide
CID 9566836
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Acroteben
CID 5351737
N'-(5-bromo-2-hydroxybenzylidene)isonicotinohydrazide
CID 135480441
5-bromo-2-hydroxy-N'-[(1E)-pyridin-3-ylmethylene]benzohydrazide
CID 5331626
N'-[(E)-(5-bromo-2-methoxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 6868779
Nicotinic acid (2-bromo-5-hydroxy-benzylidene)-hydrazide
CID 9563418

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 135460548) is N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccncc1.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is FGPBIVINUBCOLK-REZTVBANSA-N. The full InChI is InChI=1S/C13H9Br2N3O2/c14-10-5-9(12(19)11(15)6-10)7-17-18-13(20)8-1-3-16-4-2-8/h1-7,19H,(H,18,20)/b17-7+.
What are the key properties of N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 399.04 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135460548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).