N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide

C8H7BrN4O — CID 178122837

IUPACN-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide
SMILESCN(C(=O)C=[N+]=[N-])c1ccc(Br)nc1
InChIInChI=1S/C8H7BrN4O/c1-13(8(14)5-12-10)6-2-3-7(9)11-4-6/h2-5H,1H3
InChIKeyZGXMSUDIROHWDB-UHFFFAOYSA-N
MW255.08 g/mol
LogP1.11
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide

N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide (PubChem CID 178122837) has the molecular formula C8H7BrN4O and a molecular weight of 255.08 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide
PubChem CID178122837
Molecular FormulaC8H7BrN4O
Molecular Weight255.08 g/mol
Exact Mass253.98
IUPAC NameN-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide
SMILESCN(C(=O)C=[N+]=[N-])c1ccc(Br)nc1
InChIInChI=1S/C8H7BrN4O/c1-13(8(14)5-12-10)6-2-3-7(9)11-4-6/h2-5H,1H3
InChIKeyZGXMSUDIROHWDB-UHFFFAOYSA-N
XLogP1.11
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide (CID 178122837) is N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide is CN(C(=O)C=[N+]=[N-])c1ccc(Br)nc1.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide?
The InChIKey is ZGXMSUDIROHWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c1-13(8(14)5-12-10)6-2-3-7(9)11-4-6/h2-5H,1H3.
What are the key properties of N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide?
N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide has a molecular weight of 255.08 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2-diazo-N-methylacetamide is sourced from PubChem (CID 178122837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).