3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide

C9H12BrClN4O — CID 104979865

IUPAC3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)c1ncc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN4O/c1-15(3-2-8(12)14-16)9-7(10)4-6(11)5-13-9/h4-5,16H,2-3H2,1H3,(H2,12,14)
InChIKeyZSLIRUSOHIIHSO-UHFFFAOYSA-N
MW307.58 g/mol
LogP2.07
Rot. Bonds4

About 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide

3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide (PubChem CID 104979865) has the molecular formula C9H12BrClN4O and a molecular weight of 307.58 g/mol. Its IUPAC name is 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
PubChem CID104979865
Molecular FormulaC9H12BrClN4O
Molecular Weight307.58 g/mol
Exact Mass305.99
IUPAC Name3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
SMILESCN(CCC(N)=NO)c1ncc(Cl)cc1Br
InChIInChI=1S/C9H12BrClN4O/c1-15(3-2-8(12)14-16)9-7(10)4-6(11)5-13-9/h4-5,16H,2-3H2,1H3,(H2,12,14)
InChIKeyZSLIRUSOHIIHSO-UHFFFAOYSA-N
XLogP2.07
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.58
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-bromopyrimidin-4-yl)-methylamino]-N'-hydroxypropanimidamide
CID 77126226
3-bromo-5-chloro-N-(3-chlorobutyl)-N-methylpyridin-2-amine
CID 114838625
N'-(3-bromo-5-chloro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 114835445
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 114838298
3-[(5-bromoisoquinolin-1-yl)-methylamino]-N'-hydroxypropanimidamide
CID 106537032
3-(N-(3,5-dichloro-2-pyridinyl)anilino)-N'-hydroxypropanimidamide
CID 43101626
3-[(5-chloro-3-iodo-2-pyridinyl)-methylamino]propanamide
CID 167869870
2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 114835568
3-bromo-5-chloro-N-methyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 114836684
N'-hydroxy-3-[methyl(pyridin-4-yl)amino]propanimidamide
CID 43186264
3-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]propanethioamide
CID 103582230
3-bromo-5-chloro-N-(cyclohexylmethyl)-N-methylpyridin-2-amine
CID 114836828

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide?
The IUPAC name of 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide (CID 104979865) is 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide?
The canonical SMILES for 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide is CN(CCC(N)=NO)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide?
The InChIKey is ZSLIRUSOHIIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrClN4O/c1-15(3-2-8(12)14-16)9-7(10)4-6(11)5-13-9/h4-5,16H,2-3H2,1H3,(H2,12,14).
What are the key properties of 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide?
3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide has a molecular weight of 307.58 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104979865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).