2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide

C12H11BrN4O2 — CID 137013818

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O2/c1-7-2-8(12(14)17-18)3-11(16-7)19-10-4-9(13)5-15-6-10/h2-6,18H,1H3,(H2,14,17)
InChIKeyRYZDXACJJXRNIG-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.43
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013818) has the molecular formula C12H11BrN4O2 and a molecular weight of 323.15 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013818
Molecular FormulaC12H11BrN4O2
Molecular Weight323.15 g/mol
Exact Mass322.01
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C12H11BrN4O2/c1-7-2-8(12(14)17-18)3-11(16-7)19-10-4-9(13)5-15-6-10/h2-6,18H,1H3,(H2,14,17)
InChIKeyRYZDXACJJXRNIG-UHFFFAOYSA-N
XLogP2.43
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

6-[6-(3-Carbamimidoyl-phenoxy)-pyrazin-2-yloxy]-pyridine-2-carboxamidine
CID 44293746
2-[(3-Bromophenyl)methyl]-3-(3-pyridin-4-ylpropoxy)pyridine
CID 90683423
2-(Pyridin-3-yloxy)pyridine-4-carboximidamide hydrochloride
CID 47002490
2-(2-bromophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 28185854
(NZ)-N-[[3-(dimethylamino)pyrrolidin-1-yl]-(6-methyl-2-pyridin-3-yloxy-3-pyridinyl)methylidene]hydroxylamine
CID 56658194
N'-hydroxy-N,6-dimethyl-N-(pyridin-3-ylmethyl)-2-pyridin-3-yloxypyridine-3-carboximidamide
CID 56658329
N-hydroxy-6-methyl-N'-(2-methylbutan-2-yl)-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56659039
(NZ)-N-[(6-methyl-2-pyridin-3-yloxy-3-pyridinyl)-piperidin-1-ylmethylidene]hydroxylamine
CID 56662578
N'-hydroxy-N,6-dimethyl-N-(1-methylpiperidin-4-yl)-2-pyridin-3-yloxypyridine-3-carboximidamide
CID 56665817
N-(cyanomethyl)-N'-hydroxy-N,6-dimethyl-2-pyridin-3-yloxypyridine-3-carboximidamide
CID 56668575
N-hydroxy-6-methyl-N'-(pyridin-2-ylmethyl)-2-pyridin-3-yloxypyridine-3-carboximidamide
CID 56668602
N-hydroxy-6-methyl-N'-propan-2-yl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
CID 56672851

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013818) is 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2cncc(Br)c2)n1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is RYZDXACJJXRNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2/c1-7-2-8(12(14)17-18)3-11(16-7)19-10-4-9(13)5-15-6-10/h2-6,18H,1H3,(H2,14,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 323.15 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).