pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine

C15H21N2O3P — CID 69498944

IUPACpentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
SMILESCCC(CC)P(=O)(O)O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H13O3P/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5(4-2)9(6,7)8/h1-8H;5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyHJULNTMDNDDAJD-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.50
Rot. Bonds4

About pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine

pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine (PubChem CID 69498944) has the molecular formula C15H21N2O3P and a molecular weight of 308.32 g/mol. Its IUPAC name is pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine.

Molecular Properties

Compound Namepentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
PubChem CID69498944
Molecular FormulaC15H21N2O3P
Molecular Weight308.32 g/mol
Exact Mass308.13
IUPAC Namepentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine
SMILESCCC(CC)P(=O)(O)O.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.C5H13O3P/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5(4-2)9(6,7)8/h1-8H;5H,3-4H2,1-2H3,(H2,6,7,8)
InChIKeyHJULNTMDNDDAJD-UHFFFAOYSA-N
XLogP3.50
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propane;2-pyridin-2-ylpyridine
CID 158168510
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
[hydroxy-(4-pyridin-2-ylphenyl)methyl]phosphonic acid
CID 10468039
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
pyrrolo[3,2-b]azepine
CID 66934182

Frequently Asked Questions

What is the IUPAC name of pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine?
The IUPAC name of pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine (CID 69498944) is pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine.
What is the SMILES notation for pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine?
The canonical SMILES for pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine is CCC(CC)P(=O)(O)O.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine?
The InChIKey is HJULNTMDNDDAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C5H13O3P/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-5(4-2)9(6,7)8/h1-8H;5H,3-4H2,1-2H3,(H2,6,7,8).
What are the key properties of pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine?
pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine has a molecular weight of 308.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylphosphonic acid;2-pyridin-2-ylpyridine is sourced from PubChem (CID 69498944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).