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

C13H11BrClN3O2 — CID 104797667

IUPAC4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O2/c14-9-2-3-10(17-6-9)7-20-12-4-1-8(5-11(12)15)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyXSNXYMRDNQANMU-UHFFFAOYSA-N
MW356.61 g/mol
LogP3.17
Rot. Bonds4

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

4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide (PubChem CID 104797667) has the molecular formula C13H11BrClN3O2 and a molecular weight of 356.61 g/mol. Its IUPAC name is 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
PubChem CID104797667
Molecular FormulaC13H11BrClN3O2
Molecular Weight356.61 g/mol
Exact Mass354.97
IUPAC Name4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCc2ccc(Br)cn2)c(Cl)c1
InChIInChI=1S/C13H11BrClN3O2/c14-9-2-3-10(17-6-9)7-20-12-4-1-8(5-11(12)15)13(16)18-19/h1-6,19H,7H2,(H2,16,18)
InChIKeyXSNXYMRDNQANMU-UHFFFAOYSA-N
XLogP3.17
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.61
LogP ≤ 53.17
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

4-[(4-bromo-2-chlorophenoxy)methyl]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102667619
3-chloro-N'-hydroxy-4-(pyridin-2-ylmethoxy)benzenecarboximidamide
CID 61388852
4-[(5-bromo-2-fluorophenyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide
CID 76899269
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
5-bromo-2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyridine
CID 113454507
5-bromo-2-[[4-(bromomethyl)-2-chlorophenoxy]methyl]pyridine
CID 104799142
3-chloro-4-[(2,5-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77065131
3-chloro-4-[(3,5-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 105403786
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
5-bromo-2-[(2-bromo-4-chlorophenoxy)methyl]pyridine
CID 104809665
3-chloro-4-[(2,3-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107306604
3-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 107881690

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide (CID 104797667) is 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCc2ccc(Br)cn2)c(Cl)c1.
What is the InChIKey of 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide?
The InChIKey is XSNXYMRDNQANMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClN3O2/c14-9-2-3-10(17-6-9)7-20-12-4-1-8(5-11(12)15)13(16)18-19/h1-6,19H,7H2,(H2,16,18).
What are the key properties of 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide?
4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide has a molecular weight of 356.61 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-pyridinyl)methoxy]-3-chloro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 104797667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).