[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid

C13H15N2O3P — CID 118048068

IUPAC[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid
SMILESCCc1ccnc(-c2cc(CP(=O)(O)O)ccn2)c1
InChIInChI=1S/C13H15N2O3P/c1-2-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-19(16,17)18/h3-8H,2,9H2,1H3,(H2,16,17,18)
InChIKeyRMCKORXMSNGKLX-UHFFFAOYSA-N
MW278.25 g/mol
LogP2.38
Rot. Bonds4

About [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid

[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid (PubChem CID 118048068) has the molecular formula C13H15N2O3P and a molecular weight of 278.25 g/mol. Its IUPAC name is [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid.

Molecular Properties

Compound Name[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid
PubChem CID118048068
Molecular FormulaC13H15N2O3P
Molecular Weight278.25 g/mol
Exact Mass278.08
IUPAC Name[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid
SMILESCCc1ccnc(-c2cc(CP(=O)(O)O)ccn2)c1
InChIInChI=1S/C13H15N2O3P/c1-2-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-19(16,17)18/h3-8H,2,9H2,1H3,(H2,16,17,18)
InChIKeyRMCKORXMSNGKLX-UHFFFAOYSA-N
XLogP2.38
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 52.38
H-Bond Donors ≤ 52
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 [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid?
The IUPAC name of [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid (CID 118048068) is [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid.
What is the SMILES notation for [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid?
The canonical SMILES for [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid is CCc1ccnc(-c2cc(CP(=O)(O)O)ccn2)c1.
What is the InChIKey of [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid?
The InChIKey is RMCKORXMSNGKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O3P/c1-2-10-3-5-14-12(7-10)13-8-11(4-6-15-13)9-19(16,17)18/h3-8H,2,9H2,1H3,(H2,16,17,18).
What are the key properties of [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid?
[2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid has a molecular weight of 278.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-2-pyridinyl)-4-pyridinyl]methylphosphonic acid is sourced from PubChem (CID 118048068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).