N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

C12H9BrN4O2 — CID 135688171

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cnccn1
InChIInChI=1S/C12H9BrN4O2/c13-9-1-2-11(18)8(5-9)6-16-17-12(19)10-7-14-3-4-15-10/h1-7,18H,(H,17,19)/b16-6+
InChIKeyVKBKIZKKLUUYJO-OMCISZLKSA-N
MW321.13 g/mol
LogP1.71
Rot. Bonds3

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (PubChem CID 135688171) has the molecular formula C12H9BrN4O2 and a molecular weight of 321.13 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
PubChem CID135688171
Molecular FormulaC12H9BrN4O2
Molecular Weight321.13 g/mol
Exact Mass319.99
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide
SMILESO=C(N/N=C/c1cc(Br)ccc1O)c1cnccn1
InChIInChI=1S/C12H9BrN4O2/c13-9-1-2-11(18)8(5-9)6-16-17-12(19)10-7-14-3-4-15-10/h1-7,18H,(H,17,19)/b16-6+
InChIKeyVKBKIZKKLUUYJO-OMCISZLKSA-N
XLogP1.71
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.13
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-Methyl-nicotinic acid (5-bromo-2-hydroxy-benzylidene)-hydrazide
CID 135533022
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylidene]pyridine-3-carbohydrazide
CID 135428734
N'-(5-Bromo-2-hydroxybenzylidene)-2-pyridinecarbohydrazide
CID 135588610
Pyrazine-2-carboxylic acid (2-hydroxy-benzylidene)-hydrazide
CID 135470871
(E)-N'-(3,5-di-tert-butyl-4-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 135576570
N'-[(1Z)-1-(2-hydroxyphenyl)ethylidene]pyrazine-2-carbohydrazide
CID 135703773
N'-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidene]pyridine-2-carbohydrazide
CID 135504387
(E)-N'-(3-hydroxybenzylidene)pyrazine-2-carbohydrazide
CID 5726080
N'-(4-hydroxybenzylidene)-2-pyrazinecarbohydrazide
CID 135446634
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]pyrazine-2-carboxamide
CID 137292474
N'-[(Z)-(2,4-dihydroxyphenyl)methylidene]pyrazine-2-carbohydrazide
CID 135648655
Salicylaldehyde-2-pyrazinoyl hydrazone
CID 760529

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide (CID 135688171) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is O=C(N/N=C/c1cc(Br)ccc1O)c1cnccn1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
The InChIKey is VKBKIZKKLUUYJO-OMCISZLKSA-N. The full InChI is InChI=1S/C12H9BrN4O2/c13-9-1-2-11(18)8(5-9)6-16-17-12(19)10-7-14-3-4-15-10/h1-7,18H,(H,17,19)/b16-6+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide has a molecular weight of 321.13 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 135688171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).