5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride

C8H8BrClN2O2 — CID 170557723

IUPAC5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride
SMILESCOCc1nc(C(Cl)=NO)ccc1Br
InChIInChI=1S/C8H8BrClN2O2/c1-14-4-7-5(9)2-3-6(11-7)8(10)12-13/h2-3,13H,4H2,1H3
InChIKeyZVLVRAZOOJWYCN-UHFFFAOYSA-N
MW279.52 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride

5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride (PubChem CID 170557723) has the molecular formula C8H8BrClN2O2 and a molecular weight of 279.52 g/mol. Its IUPAC name is 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride.

Molecular Properties

Compound Name5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride
PubChem CID170557723
Molecular FormulaC8H8BrClN2O2
Molecular Weight279.52 g/mol
Exact Mass277.95
IUPAC Name5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride
SMILESCOCc1nc(C(Cl)=NO)ccc1Br
InChIInChI=1S/C8H8BrClN2O2/c1-14-4-7-5(9)2-3-6(11-7)8(10)12-13/h2-3,13H,4H2,1H3
InChIKeyZVLVRAZOOJWYCN-UHFFFAOYSA-N
XLogP2.37
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.52
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride?
The IUPAC name of 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride (CID 170557723) is 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride.
What is the SMILES notation for 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride?
The canonical SMILES for 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride is COCc1nc(C(Cl)=NO)ccc1Br.
What is the InChIKey of 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride?
The InChIKey is ZVLVRAZOOJWYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClN2O2/c1-14-4-7-5(9)2-3-6(11-7)8(10)12-13/h2-3,13H,4H2,1H3.
What are the key properties of 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride?
5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride has a molecular weight of 279.52 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-hydroxy-6-(methoxymethyl)pyridine-2-carboximidoyl chloride is sourced from PubChem (CID 170557723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).