N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide

C6H6BrN3O — CID 11608210

IUPACN'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ncccc1Br
InChIInChI=1S/C6H6BrN3O/c7-5-2-1-3-8-6(5)9-4-10-11/h1-4,11H,(H,8,9,10)
InChIKeyRDSPIFKQGSXSAP-UHFFFAOYSA-N
MW216.04 g/mol
LogP1.48
Rot. Bonds2

About N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide

N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide (PubChem CID 11608210) has the molecular formula C6H6BrN3O and a molecular weight of 216.04 g/mol. Its IUPAC name is N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
PubChem CID11608210
Molecular FormulaC6H6BrN3O
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC NameN'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ncccc1Br
InChIInChI=1S/C6H6BrN3O/c7-5-2-1-3-8-6(5)9-4-10-11/h1-4,11H,(H,8,9,10)
InChIKeyRDSPIFKQGSXSAP-UHFFFAOYSA-N
XLogP1.48
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 51.48
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'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide (CID 11608210) is N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide is ON/C=N/c1ncccc1Br.
What is the InChIKey of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?
The InChIKey is RDSPIFKQGSXSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O/c7-5-2-1-3-8-6(5)9-4-10-11/h1-4,11H,(H,8,9,10).
What are the key properties of N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide?
N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide has a molecular weight of 216.04 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-2-pyridinyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 11608210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).