butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid

C19H20NO4P — CID 54251998

IUPACbutoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
SMILESCCCCOP(=O)(O)c1ccc(-c2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C19H20NO4P/c1-2-3-13-24-25(22,23)18-12-11-17(20-19(18)21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12H,2-3,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyQXKSQOGHUDGFSI-UHFFFAOYSA-N
MW357.35 g/mol
LogP3.82
Rot. Bonds6

About butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid

butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid (PubChem CID 54251998) has the molecular formula C19H20NO4P and a molecular weight of 357.35 g/mol. Its IUPAC name is butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid.

Molecular Properties

Compound Namebutoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
PubChem CID54251998
Molecular FormulaC19H20NO4P
Molecular Weight357.35 g/mol
Exact Mass357.11
IUPAC Namebutoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid
SMILESCCCCOP(=O)(O)c1ccc(-c2cccc3ccccc23)[nH]c1=O
InChIInChI=1S/C19H20NO4P/c1-2-3-13-24-25(22,23)18-12-11-17(20-19(18)21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12H,2-3,13H2,1H3,(H,20,21)(H,22,23)
InChIKeyQXKSQOGHUDGFSI-UHFFFAOYSA-N
XLogP3.82
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The IUPAC name of butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid (CID 54251998) is butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid.
What is the SMILES notation for butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The canonical SMILES for butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid is CCCCOP(=O)(O)c1ccc(-c2cccc3ccccc23)[nH]c1=O.
What is the InChIKey of butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
The InChIKey is QXKSQOGHUDGFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20NO4P/c1-2-3-13-24-25(22,23)18-12-11-17(20-19(18)21)16-10-6-8-14-7-4-5-9-15(14)16/h4-12H,2-3,13H2,1H3,(H,20,21)(H,22,23).
What are the key properties of butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid?
butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid has a molecular weight of 357.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(6-naphthalen-1-yl-2-oxo-1H-pyridin-3-yl)phosphinic acid is sourced from PubChem (CID 54251998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).