N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide

C6H5BrClN3O — CID 172622154

IUPACN'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(Br)c(Cl)n1
InChIInChI=1S/C6H5BrClN3O/c7-4-1-2-5(9-3-10-12)11-6(4)8/h1-3,12H,(H,9,10,11)
InChIKeyPXAADOZGMMSSBB-UHFFFAOYSA-N
MW250.48 g/mol
LogP2.14
Rot. Bonds2

About N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide

N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide (PubChem CID 172622154) has the molecular formula C6H5BrClN3O and a molecular weight of 250.48 g/mol. Its IUPAC name is N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide.

Molecular Properties

Compound NameN'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide
PubChem CID172622154
Molecular FormulaC6H5BrClN3O
Molecular Weight250.48 g/mol
Exact Mass248.93
IUPAC NameN'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide
SMILESON/C=N/c1ccc(Br)c(Cl)n1
InChIInChI=1S/C6H5BrClN3O/c7-4-1-2-5(9-3-10-12)11-6(4)8/h1-3,12H,(H,9,10,11)
InChIKeyPXAADOZGMMSSBB-UHFFFAOYSA-N
XLogP2.14
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide?
The IUPAC name of N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide (CID 172622154) is N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide.
What is the SMILES notation for N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide?
The canonical SMILES for N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide is ON/C=N/c1ccc(Br)c(Cl)n1.
What is the InChIKey of N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide?
The InChIKey is PXAADOZGMMSSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O/c7-4-1-2-5(9-3-10-12)11-6(4)8/h1-3,12H,(H,9,10,11).
What are the key properties of N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide?
N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide has a molecular weight of 250.48 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-6-chloro-2-pyridinyl)-N-hydroxymethanimidamide is sourced from PubChem (CID 172622154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).