6-dimethylphosphorylpyridine-3-carbaldehyde

C8H10NO2P — CID 155977857

IUPAC6-dimethylphosphorylpyridine-3-carbaldehyde
SMILESCP(C)(=O)c1ccc(C=O)cn1
InChIInChI=1S/C8H10NO2P/c1-12(2,11)8-4-3-7(6-10)5-9-8/h3-6H,1-2H3
InChIKeyZFPFEWMWVFELDQ-UHFFFAOYSA-N
MW183.15 g/mol
LogP1.14
Rot. Bonds2

About 6-dimethylphosphorylpyridine-3-carbaldehyde

6-dimethylphosphorylpyridine-3-carbaldehyde (PubChem CID 155977857) has the molecular formula C8H10NO2P and a molecular weight of 183.15 g/mol. Its IUPAC name is 6-dimethylphosphorylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-dimethylphosphorylpyridine-3-carbaldehyde
PubChem CID155977857
Molecular FormulaC8H10NO2P
Molecular Weight183.15 g/mol
Exact Mass183.04
IUPAC Name6-dimethylphosphorylpyridine-3-carbaldehyde
SMILESCP(C)(=O)c1ccc(C=O)cn1
InChIInChI=1S/C8H10NO2P/c1-12(2,11)8-4-3-7(6-10)5-9-8/h3-6H,1-2H3
InChIKeyZFPFEWMWVFELDQ-UHFFFAOYSA-N
XLogP1.14
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.15
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-dimethylphosphorylpyridine-3-carbaldehyde?
The IUPAC name of 6-dimethylphosphorylpyridine-3-carbaldehyde (CID 155977857) is 6-dimethylphosphorylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-dimethylphosphorylpyridine-3-carbaldehyde?
The canonical SMILES for 6-dimethylphosphorylpyridine-3-carbaldehyde is CP(C)(=O)c1ccc(C=O)cn1.
What is the InChIKey of 6-dimethylphosphorylpyridine-3-carbaldehyde?
The InChIKey is ZFPFEWMWVFELDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10NO2P/c1-12(2,11)8-4-3-7(6-10)5-9-8/h3-6H,1-2H3.
What are the key properties of 6-dimethylphosphorylpyridine-3-carbaldehyde?
6-dimethylphosphorylpyridine-3-carbaldehyde has a molecular weight of 183.15 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dimethylphosphorylpyridine-3-carbaldehyde is sourced from PubChem (CID 155977857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).