N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

C18H14BrN5O — CID 135411868

IUPACN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESOc1ccc(Br)cc1/C=N/N/C(=N\c1ccccn1)c1ccccn1
InChIInChI=1S/C18H14BrN5O/c19-14-7-8-16(25)13(11-14)12-22-24-18(15-5-1-3-9-20-15)23-17-6-2-4-10-21-17/h1-12,25H,(H,21,23,24)/b22-12+
InChIKeyKWMXFMRHVAHWTD-WSDLNYQXSA-N
MW396.25 g/mol
LogP3.65
Rot. Bonds4

About N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide

N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (PubChem CID 135411868) has the molecular formula C18H14BrN5O and a molecular weight of 396.25 g/mol. Its IUPAC name is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.

Molecular Properties

Compound NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
PubChem CID135411868
Molecular FormulaC18H14BrN5O
Molecular Weight396.25 g/mol
Exact Mass395.04
IUPAC NameN-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
SMILESOc1ccc(Br)cc1/C=N/N/C(=N\c1ccccn1)c1ccccn1
InChIInChI=1S/C18H14BrN5O/c19-14-7-8-16(25)13(11-14)12-22-24-18(15-5-1-3-9-20-15)23-17-6-2-4-10-21-17/h1-12,25H,(H,21,23,24)/b22-12+
InChIKeyKWMXFMRHVAHWTD-WSDLNYQXSA-N
XLogP3.65
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.25
LogP ≤ 53.65
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
CID 5229220
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 760222
N-[(E)-(2-nitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 5339907
N-[(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 3097180
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 2327312
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 4685121
N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5411322
methyl 4-[(Z)-[(C,N-dipyridin-2-ylcarbonimidoyl)hydrazinylidene]methyl]benzoate
CID 26366500
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230324
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 135738438
1,3-bis[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]urea
CID 136870132

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The IUPAC name of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide (CID 135411868) is N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide.
What is the SMILES notation for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The canonical SMILES for N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide is Oc1ccc(Br)cc1/C=N/N/C(=N\c1ccccn1)c1ccccn1.
What is the InChIKey of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
The InChIKey is KWMXFMRHVAHWTD-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H14BrN5O/c19-14-7-8-16(25)13(11-14)12-22-24-18(15-5-1-3-9-20-15)23-17-6-2-4-10-21-17/h1-12,25H,(H,21,23,24)/b22-12+.
What are the key properties of N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide?
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide has a molecular weight of 396.25 g/mol, XLogP of 3.65, 4 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]-N'-pyridin-2-ylpyridine-2-carboximidamide is sourced from PubChem (CID 135411868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).