N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide

C13H11BrN4O — CID 4685121

IUPACN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESNC(=NN=Cc1cc(Br)ccc1O)c1ccccn1
InChIInChI=1S/C13H11BrN4O/c14-10-4-5-12(19)9(7-10)8-17-18-13(15)11-3-1-2-6-16-11/h1-8,19H,(H2,15,18)
InChIKeyCCFPAMLOTMQGGA-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.29
Rot. Bonds3

About N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide

N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide (PubChem CID 4685121) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
PubChem CID4685121
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC NameN'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESNC(=NN=Cc1cc(Br)ccc1O)c1ccccn1
InChIInChI=1S/C13H11BrN4O/c14-10-4-5-12(19)9(7-10)8-17-18-13(15)11-3-1-2-6-16-11/h1-8,19H,(H2,15,18)
InChIKeyCCFPAMLOTMQGGA-UHFFFAOYSA-N
XLogP2.29
TPSA83.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.29
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': '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]pyridine-2-carboxamide
CID 760222
N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
CID 5479755
N'-[(E)-(4-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide
CID 170856108
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-pyridin-2-ylpyridine-2-carboximidamide
CID 135411868
2-[[(E)-1-pyridin-2-ylethylidenehydrazinylidene]methyl]phenol
CID 135735412
benzyl N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]carbamimidothioate
CID 168600608
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-(4-ethoxyphenyl)pyridine-2-carboximidamide
CID 5229220
N-[(Z)-(2-hydroxy-5-methylphenyl)methylideneamino]pyridine-2-carboxamide
CID 136750100
N'-[(E)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]pyridine-2-carboximidamide
CID 6474442
[(3-bromophenyl)-pyridin-2-ylmethylidene]hydrazine
CID 131874594
4-bromo-2-[(E)-[[4-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 135509570
4-bromo-2-[(Z)-[[4-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol
CID 136816742

Frequently Asked Questions

What is the IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide (CID 4685121) is N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide is NC(=NN=Cc1cc(Br)ccc1O)c1ccccn1.
What is the InChIKey of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
The InChIKey is CCFPAMLOTMQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c14-10-4-5-12(19)9(7-10)8-17-18-13(15)11-3-1-2-6-16-11/h1-8,19H,(H2,15,18).
What are the key properties of N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide?
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide has a molecular weight of 319.16 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]pyridine-2-carboximidamide is sourced from PubChem (CID 4685121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).