N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride

C6H7BrClN3O — CID 86641012

IUPACN'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride
SMILESCl.ON/C=N/c1cc(Br)ccn1
InChIInChI=1S/C6H6BrN3O.ClH/c7-5-1-2-8-6(3-5)9-4-10-11;/h1-4,11H,(H,8,9,10);1H
InChIKeyZYKBNGGDIPYBNX-UHFFFAOYSA-N
MW252.50 g/mol
LogP1.90
Rot. Bonds2

About N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride

N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride (PubChem CID 86641012) has the molecular formula C6H7BrClN3O and a molecular weight of 252.50 g/mol. Its IUPAC name is N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride.

Molecular Properties

Compound NameN'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride
PubChem CID86641012
Molecular FormulaC6H7BrClN3O
Molecular Weight252.50 g/mol
Exact Mass250.95
IUPAC NameN'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride
SMILESCl.ON/C=N/c1cc(Br)ccn1
InChIInChI=1S/C6H6BrN3O.ClH/c7-5-1-2-8-6(3-5)9-4-10-11;/h1-4,11H,(H,8,9,10);1H
InChIKeyZYKBNGGDIPYBNX-UHFFFAOYSA-N
XLogP1.90
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.50
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride?
The IUPAC name of N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride (CID 86641012) is N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride.
What is the SMILES notation for N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride?
The canonical SMILES for N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride is Cl.ON/C=N/c1cc(Br)ccn1.
What is the InChIKey of N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride?
The InChIKey is ZYKBNGGDIPYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O.ClH/c7-5-1-2-8-6(3-5)9-4-10-11;/h1-4,11H,(H,8,9,10);1H.
What are the key properties of N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride?
N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride has a molecular weight of 252.50 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-pyridinyl)-N-hydroxymethanimidamide;hydrochloride is sourced from PubChem (CID 86641012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).