1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one

C13H14NO2P — CID 143530882

IUPAC1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one
SMILESCC(C)(P)C(=O)c1cncc(-c2ccco2)c1
InChIInChI=1S/C13H14NO2P/c1-13(2,17)12(15)10-6-9(7-14-8-10)11-4-3-5-16-11/h3-8H,17H2,1-2H3
InChIKeyBRXLUQOJXKYRFK-UHFFFAOYSA-N
MW247.23 g/mol
LogP3.18
Rot. Bonds3

About 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one

1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one (PubChem CID 143530882) has the molecular formula C13H14NO2P and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one
PubChem CID143530882
Molecular FormulaC13H14NO2P
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one
SMILESCC(C)(P)C(=O)c1cncc(-c2ccco2)c1
InChIInChI=1S/C13H14NO2P/c1-13(2,17)12(15)10-6-9(7-14-8-10)11-4-3-5-16-11/h3-8H,17H2,1-2H3
InChIKeyBRXLUQOJXKYRFK-UHFFFAOYSA-N
XLogP3.18
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one?
The IUPAC name of 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one (CID 143530882) is 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one.
What is the SMILES notation for 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one?
The canonical SMILES for 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one is CC(C)(P)C(=O)c1cncc(-c2ccco2)c1.
What is the InChIKey of 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one?
The InChIKey is BRXLUQOJXKYRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO2P/c1-13(2,17)12(15)10-6-9(7-14-8-10)11-4-3-5-16-11/h3-8H,17H2,1-2H3.
What are the key properties of 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one?
1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one has a molecular weight of 247.23 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-3-pyridinyl]-2-methyl-2-phosphanylpropan-1-one is sourced from PubChem (CID 143530882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).