pentan-3-yl(pyridin-4-yloxy)phosphinic acid

C10H16NO3P — CID 57198422

IUPACpentan-3-yl(pyridin-4-yloxy)phosphinic acid
SMILESCCC(CC)P(=O)(O)Oc1ccncc1
InChIInChI=1S/C10H16NO3P/c1-3-10(4-2)15(12,13)14-9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyBKYNBSCAEFKADJ-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.83
Rot. Bonds5

About pentan-3-yl(pyridin-4-yloxy)phosphinic acid

pentan-3-yl(pyridin-4-yloxy)phosphinic acid (PubChem CID 57198422) has the molecular formula C10H16NO3P and a molecular weight of 229.22 g/mol. Its IUPAC name is pentan-3-yl(pyridin-4-yloxy)phosphinic acid.

Molecular Properties

Compound Namepentan-3-yl(pyridin-4-yloxy)phosphinic acid
PubChem CID57198422
Molecular FormulaC10H16NO3P
Molecular Weight229.22 g/mol
Exact Mass229.09
IUPAC Namepentan-3-yl(pyridin-4-yloxy)phosphinic acid
SMILESCCC(CC)P(=O)(O)Oc1ccncc1
InChIInChI=1S/C10H16NO3P/c1-3-10(4-2)15(12,13)14-9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3,(H,12,13)
InChIKeyBKYNBSCAEFKADJ-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 pentan-3-yl(pyridin-4-yloxy)phosphinic acid?
The IUPAC name of pentan-3-yl(pyridin-4-yloxy)phosphinic acid (CID 57198422) is pentan-3-yl(pyridin-4-yloxy)phosphinic acid.
What is the SMILES notation for pentan-3-yl(pyridin-4-yloxy)phosphinic acid?
The canonical SMILES for pentan-3-yl(pyridin-4-yloxy)phosphinic acid is CCC(CC)P(=O)(O)Oc1ccncc1.
What is the InChIKey of pentan-3-yl(pyridin-4-yloxy)phosphinic acid?
The InChIKey is BKYNBSCAEFKADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO3P/c1-3-10(4-2)15(12,13)14-9-5-7-11-8-6-9/h5-8,10H,3-4H2,1-2H3,(H,12,13).
What are the key properties of pentan-3-yl(pyridin-4-yloxy)phosphinic acid?
pentan-3-yl(pyridin-4-yloxy)phosphinic acid has a molecular weight of 229.22 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl(pyridin-4-yloxy)phosphinic acid is sourced from PubChem (CID 57198422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).