4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide

C13H12BrClN4O — CID 103582321

IUPAC4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cc1)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN4O/c1-19(13-11(15)6-9(14)7-17-13)10-4-2-8(3-5-10)12(16)18-20/h2-7,20H,1H3,(H2,16,18)
InChIKeyXUAGKFCCSHTJOY-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.36
Rot. Bonds3

About 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide

4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide (PubChem CID 103582321) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
PubChem CID103582321
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC Name4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
SMILESCN(c1ccc(/C(N)=N/O)cc1)c1ncc(Br)cc1Cl
InChIInChI=1S/C13H12BrClN4O/c1-19(13-11(15)6-9(14)7-17-13)10-4-2-8(3-5-10)12(16)18-20/h2-7,20H,1H3,(H2,16,18)
InChIKeyXUAGKFCCSHTJOY-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

5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
5-bromo-3-chloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 103583292
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
5-bromo-N-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylpyridine-2-carboxamide
CID 76979547
4-[(5-bromo-2-pyridinyl)methyl-methylamino]-N'-hydroxybenzenecarboximidamide
CID 104797612
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 103582344
4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 167646824
4-[(3-bromo-5-chloro-2-pyridinyl)-methylamino]benzenecarbothioamide
CID 114835487
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
2-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]acetamide
CID 103583156
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
6-(N,4-dimethylanilino)-N'-hydroxypyridine-3-carboximidamide
CID 76930776

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide (CID 103582321) is 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide is CN(c1ccc(/C(N)=N/O)cc1)c1ncc(Br)cc1Cl.
What is the InChIKey of 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
The InChIKey is XUAGKFCCSHTJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-19(13-11(15)6-9(14)7-17-13)10-4-2-8(3-5-10)12(16)18-20/h2-7,20H,1H3,(H2,16,18).
What are the key properties of 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide?
4-[(5-bromo-3-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 4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 103582321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).