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

C13H12BrN3O2 — CID 104797666

IUPAC2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O2/c14-10-5-9(6-16-7-10)8-19-12-4-2-1-3-11(12)13(15)17-18/h1-7,18H,8H2,(H2,15,17)
InChIKeyCBDMKGXHORZYBN-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.52
Rot. Bonds4

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

2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 104797666) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID104797666
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC Name2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccccc1OCc1cncc(Br)c1
InChIInChI=1S/C13H12BrN3O2/c14-10-5-9(6-16-7-10)8-19-12-4-2-1-3-11(12)13(15)17-18/h1-7,18H,8H2,(H2,15,17)
InChIKeyCBDMKGXHORZYBN-UHFFFAOYSA-N
XLogP2.52
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.52
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

2-[(3-bromophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24709005
3-bromo-5-[(2-methoxyphenoxy)methyl]pyridine
CID 115580496
2-[(3,5-dimethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 61028883
(NZ)-N-[1-[2-[(5-bromo-3-pyridinyl)methoxy]-4-fluorophenyl]ethylidene]hydroxylamine
CID 104797850
3-bromo-5-[[2-(chloromethyl)phenoxy]methyl]pyridine
CID 104798982
2-[(2-bromo-4-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24692111
4-[(5-bromo-3-pyridinyl)oxymethyl]-N'-hydroxybenzenecarboximidamide
CID 77022595
3-bromo-5-[(2-nitrophenoxy)methyl]pyridine
CID 39528226
2-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 24706233
3-bromo-5-[(2,4-dichlorophenoxy)methyl]pyridine
CID 115580492
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77103654
N'-hydroxy-2-(2-methylsulfanylethoxy)benzenecarboximidamide
CID 115597531

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 104797666) is 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccccc1OCc1cncc(Br)c1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is CBDMKGXHORZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-10-5-9(6-16-7-10)8-19-12-4-2-1-3-11(12)13(15)17-18/h1-7,18H,8H2,(H2,15,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 322.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104797666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).