5-dimethylphosphoryl-2-methylpyridine

C8H12NOP — CID 59131891

IUPAC5-dimethylphosphoryl-2-methylpyridine
SMILESCc1ccc(P(C)(C)=O)cn1
InChIInChI=1S/C8H12NOP/c1-7-4-5-8(6-9-7)11(2,3)10/h4-6H,1-3H3
InChIKeyKEXHHDALJIZQCZ-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.64
Rot. Bonds1

About 5-dimethylphosphoryl-2-methylpyridine

5-dimethylphosphoryl-2-methylpyridine (PubChem CID 59131891) has the molecular formula C8H12NOP and a molecular weight of 169.16 g/mol. Its IUPAC name is 5-dimethylphosphoryl-2-methylpyridine.

Molecular Properties

Compound Name5-dimethylphosphoryl-2-methylpyridine
PubChem CID59131891
Molecular FormulaC8H12NOP
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name5-dimethylphosphoryl-2-methylpyridine
SMILESCc1ccc(P(C)(C)=O)cn1
InChIInChI=1S/C8H12NOP/c1-7-4-5-8(6-9-7)11(2,3)10/h4-6H,1-3H3
InChIKeyKEXHHDALJIZQCZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-dimethylphosphoryl-2-methylpyridine?
The IUPAC name of 5-dimethylphosphoryl-2-methylpyridine (CID 59131891) is 5-dimethylphosphoryl-2-methylpyridine.
What is the SMILES notation for 5-dimethylphosphoryl-2-methylpyridine?
The canonical SMILES for 5-dimethylphosphoryl-2-methylpyridine is Cc1ccc(P(C)(C)=O)cn1.
What is the InChIKey of 5-dimethylphosphoryl-2-methylpyridine?
The InChIKey is KEXHHDALJIZQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NOP/c1-7-4-5-8(6-9-7)11(2,3)10/h4-6H,1-3H3.
What are the key properties of 5-dimethylphosphoryl-2-methylpyridine?
5-dimethylphosphoryl-2-methylpyridine has a molecular weight of 169.16 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphoryl-2-methylpyridine is sourced from PubChem (CID 59131891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).