2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine

C9H14N4O2P2 — CID 20634532

IUPAC2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine
SMILESCP(C)(=O)C(N=[N+]=[N-])P(C)(=O)c1ccccn1
InChIInChI=1S/C9H14N4O2P2/c1-16(2,14)9(12-13-10)17(3,15)8-6-4-5-7-11-8/h4-7,9H,1-3H3
InChIKeyLRVLOGJDQNWAEL-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.92
Rot. Bonds4

About 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine

2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine (PubChem CID 20634532) has the molecular formula C9H14N4O2P2 and a molecular weight of 272.19 g/mol. Its IUPAC name is 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine.

Molecular Properties

Compound Name2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine
PubChem CID20634532
Molecular FormulaC9H14N4O2P2
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine
SMILESCP(C)(=O)C(N=[N+]=[N-])P(C)(=O)c1ccccn1
InChIInChI=1S/C9H14N4O2P2/c1-16(2,14)9(12-13-10)17(3,15)8-6-4-5-7-11-8/h4-7,9H,1-3H3
InChIKeyLRVLOGJDQNWAEL-UHFFFAOYSA-N
XLogP2.92
TPSA95.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine?
The IUPAC name of 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine (CID 20634532) is 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine.
What is the SMILES notation for 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine?
The canonical SMILES for 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine is CP(C)(=O)C(N=[N+]=[N-])P(C)(=O)c1ccccn1.
What is the InChIKey of 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine?
The InChIKey is LRVLOGJDQNWAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2P2/c1-16(2,14)9(12-13-10)17(3,15)8-6-4-5-7-11-8/h4-7,9H,1-3H3.
What are the key properties of 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine?
2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine has a molecular weight of 272.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine is sourced from PubChem (CID 20634532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).