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

C13H12BrClN4O — CID 114835568

IUPAC2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccccc1/C(N)=N/O)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H12BrClN4O/c1-19(13-10(14)6-8(15)7-17-13)11-5-3-2-4-9(11)12(16)18-20/h2-7,20H,1H3,(H2,16,18)
InChIKeyAETBHZLZKFMXAQ-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.36
Rot. Bonds3

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

2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 114835568) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID114835568
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC Name2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccccc1/C(N)=N/O)c1ncc(Cl)cc1Br
InChIInChI=1S/C13H12BrClN4O/c1-19(13-10(14)6-8(15)7-17-13)11-5-3-2-4-9(11)12(16)18-20/h2-7,20H,1H3,(H2,16,18)
InChIKeyAETBHZLZKFMXAQ-UHFFFAOYSA-N
XLogP3.36
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.36
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

N-[2-(aminomethyl)phenyl]-3-bromo-5-chloro-N-methylpyridin-2-amine
CID 114835457
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 136971682
3-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxypropanimidamide
CID 104979865
4-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]benzenecarbothioamide
CID 114835487
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 103582344
2-[(2-bromophenyl)methyl-methylamino]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984935
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-(2-methylphenyl)propane-1,3-diamine
CID 114835412
N'-hydroxy-2-(2,4,5-trichlorophenoxy)pyridine-3-carboximidamide
CID 43108551
2-bromo-4-(N,2-dimethylanilino)-N'-hydroxybenzenecarboximidamide
CID 107278693
4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 103582321
2-[2-(dimethylamino)ethyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 55226951
5-chloro-3-fluoro-N-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 79728401

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide (CID 114835568) is 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide is CN(c1ccccc1/C(N)=N/O)c1ncc(Cl)cc1Br.
What is the InChIKey of 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is AETBHZLZKFMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-19(13-10(14)6-8(15)7-17-13)11-5-3-2-4-9(11)12(16)18-20/h2-7,20H,1H3,(H2,16,18).
What are the key properties of 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide has a molecular weight of 355.62 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114835568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).