(5-phenyl-2-pyridinyl)methylphosphonic acid

C12H12NO3P — CID 50897581

IUPAC(5-phenyl-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)
InChIKeyJTYLHYFDHHMHKD-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.43
Rot. Bonds3

About (5-phenyl-2-pyridinyl)methylphosphonic acid

(5-phenyl-2-pyridinyl)methylphosphonic acid (PubChem CID 50897581) has the molecular formula C12H12NO3P and a molecular weight of 249.21 g/mol. Its IUPAC name is (5-phenyl-2-pyridinyl)methylphosphonic acid.

Molecular Properties

Compound Name(5-phenyl-2-pyridinyl)methylphosphonic acid
PubChem CID50897581
Molecular FormulaC12H12NO3P
Molecular Weight249.21 g/mol
Exact Mass249.06
IUPAC Name(5-phenyl-2-pyridinyl)methylphosphonic acid
SMILESO=P(O)(O)Cc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16)
InChIKeyJTYLHYFDHHMHKD-UHFFFAOYSA-N
XLogP2.43
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-2-pyridinyl)methylphosphonic acid?
The IUPAC name of (5-phenyl-2-pyridinyl)methylphosphonic acid (CID 50897581) is (5-phenyl-2-pyridinyl)methylphosphonic acid.
What is the SMILES notation for (5-phenyl-2-pyridinyl)methylphosphonic acid?
The canonical SMILES for (5-phenyl-2-pyridinyl)methylphosphonic acid is O=P(O)(O)Cc1ccc(-c2ccccc2)cn1.
What is the InChIKey of (5-phenyl-2-pyridinyl)methylphosphonic acid?
The InChIKey is JTYLHYFDHHMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12NO3P/c14-17(15,16)9-12-7-6-11(8-13-12)10-4-2-1-3-5-10/h1-8H,9H2,(H2,14,15,16).
What are the key properties of (5-phenyl-2-pyridinyl)methylphosphonic acid?
(5-phenyl-2-pyridinyl)methylphosphonic acid has a molecular weight of 249.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-2-pyridinyl)methylphosphonic acid is sourced from PubChem (CID 50897581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).