[(2-ethyl-4-pyridinyl)amino]phosphonic acid

C7H11N2O3P — CID 70482604

IUPAC[(2-ethyl-4-pyridinyl)amino]phosphonic acid
SMILESCCc1cc(NP(=O)(O)O)ccn1
InChIInChI=1S/C7H11N2O3P/c1-2-6-5-7(3-4-8-6)9-13(10,11)12/h3-5H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyZADUDTZTFOCIJP-UHFFFAOYSA-N
MW202.15 g/mol
LogP1.15
Rot. Bonds3

About [(2-ethyl-4-pyridinyl)amino]phosphonic acid

[(2-ethyl-4-pyridinyl)amino]phosphonic acid (PubChem CID 70482604) has the molecular formula C7H11N2O3P and a molecular weight of 202.15 g/mol. Its IUPAC name is [(2-ethyl-4-pyridinyl)amino]phosphonic acid.

Molecular Properties

Compound Name[(2-ethyl-4-pyridinyl)amino]phosphonic acid
PubChem CID70482604
Molecular FormulaC7H11N2O3P
Molecular Weight202.15 g/mol
Exact Mass202.05
IUPAC Name[(2-ethyl-4-pyridinyl)amino]phosphonic acid
SMILESCCc1cc(NP(=O)(O)O)ccn1
InChIInChI=1S/C7H11N2O3P/c1-2-6-5-7(3-4-8-6)9-13(10,11)12/h3-5H,2H2,1H3,(H3,8,9,10,11,12)
InChIKeyZADUDTZTFOCIJP-UHFFFAOYSA-N
XLogP1.15
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.15
LogP ≤ 51.15
H-Bond Donors ≤ 53
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 [(2-ethyl-4-pyridinyl)amino]phosphonic acid?
The IUPAC name of [(2-ethyl-4-pyridinyl)amino]phosphonic acid (CID 70482604) is [(2-ethyl-4-pyridinyl)amino]phosphonic acid.
What is the SMILES notation for [(2-ethyl-4-pyridinyl)amino]phosphonic acid?
The canonical SMILES for [(2-ethyl-4-pyridinyl)amino]phosphonic acid is CCc1cc(NP(=O)(O)O)ccn1.
What is the InChIKey of [(2-ethyl-4-pyridinyl)amino]phosphonic acid?
The InChIKey is ZADUDTZTFOCIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O3P/c1-2-6-5-7(3-4-8-6)9-13(10,11)12/h3-5H,2H2,1H3,(H3,8,9,10,11,12).
What are the key properties of [(2-ethyl-4-pyridinyl)amino]phosphonic acid?
[(2-ethyl-4-pyridinyl)amino]phosphonic acid has a molecular weight of 202.15 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethyl-4-pyridinyl)amino]phosphonic acid is sourced from PubChem (CID 70482604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).