(5-phosphonopyrazin-2-yl)phosphonic acid

C4H6N2O6P2 — CID 135223009

IUPAC(5-phosphonopyrazin-2-yl)phosphonic acid
SMILESO=P(O)(O)c1cnc(P(=O)(O)O)cn1
InChIInChI=1S/C4H6N2O6P2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H2,7,8,9)(H2,10,11,12)
InChIKeyOTLBNONRJHJPOS-UHFFFAOYSA-N
MW240.05 g/mol
LogP-1.92
Rot. Bonds2

About (5-phosphonopyrazin-2-yl)phosphonic acid

(5-phosphonopyrazin-2-yl)phosphonic acid (PubChem CID 135223009) has the molecular formula C4H6N2O6P2 and a molecular weight of 240.05 g/mol. Its IUPAC name is (5-phosphonopyrazin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(5-phosphonopyrazin-2-yl)phosphonic acid
PubChem CID135223009
Molecular FormulaC4H6N2O6P2
Molecular Weight240.05 g/mol
Exact Mass239.97
IUPAC Name(5-phosphonopyrazin-2-yl)phosphonic acid
SMILESO=P(O)(O)c1cnc(P(=O)(O)O)cn1
InChIInChI=1S/C4H6N2O6P2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H2,7,8,9)(H2,10,11,12)
InChIKeyOTLBNONRJHJPOS-UHFFFAOYSA-N
XLogP-1.92
TPSA140.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.05
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-phosphonopyrazin-2-yl)phosphonic acid?
The IUPAC name of (5-phosphonopyrazin-2-yl)phosphonic acid (CID 135223009) is (5-phosphonopyrazin-2-yl)phosphonic acid.
What is the SMILES notation for (5-phosphonopyrazin-2-yl)phosphonic acid?
The canonical SMILES for (5-phosphonopyrazin-2-yl)phosphonic acid is O=P(O)(O)c1cnc(P(=O)(O)O)cn1.
What is the InChIKey of (5-phosphonopyrazin-2-yl)phosphonic acid?
The InChIKey is OTLBNONRJHJPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O6P2/c7-13(8,9)3-1-5-4(2-6-3)14(10,11)12/h1-2H,(H2,7,8,9)(H2,10,11,12).
What are the key properties of (5-phosphonopyrazin-2-yl)phosphonic acid?
(5-phosphonopyrazin-2-yl)phosphonic acid has a molecular weight of 240.05 g/mol, XLogP of -1.92, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phosphonopyrazin-2-yl)phosphonic acid is sourced from PubChem (CID 135223009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).