(3-nitro-2-pyridinyl)methylphosphonic acid

C6H7N2O5P — CID 69136226

IUPAC(3-nitro-2-pyridinyl)methylphosphonic acid
SMILESO=[N+]([O-])c1cccnc1CP(=O)(O)O
InChIInChI=1S/C6H7N2O5P/c9-8(10)6-2-1-3-7-5(6)4-14(11,12)13/h1-3H,4H2,(H2,11,12,13)
InChIKeyLUGLWUHMBYJOFJ-UHFFFAOYSA-N
MW218.10 g/mol
LogP0.67
Rot. Bonds3

About (3-nitro-2-pyridinyl)methylphosphonic acid

(3-nitro-2-pyridinyl)methylphosphonic acid (PubChem CID 69136226) has the molecular formula C6H7N2O5P and a molecular weight of 218.10 g/mol. Its IUPAC name is (3-nitro-2-pyridinyl)methylphosphonic acid.

Molecular Properties

Compound Name(3-nitro-2-pyridinyl)methylphosphonic acid
PubChem CID69136226
Molecular FormulaC6H7N2O5P
Molecular Weight218.10 g/mol
Exact Mass218.01
IUPAC Name(3-nitro-2-pyridinyl)methylphosphonic acid
SMILESO=[N+]([O-])c1cccnc1CP(=O)(O)O
InChIInChI=1S/C6H7N2O5P/c9-8(10)6-2-1-3-7-5(6)4-14(11,12)13/h1-3H,4H2,(H2,11,12,13)
InChIKeyLUGLWUHMBYJOFJ-UHFFFAOYSA-N
XLogP0.67
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.10
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (3-nitro-2-pyridinyl)methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-nitro-2-pyridinyl)methylphosphonic acid?
The IUPAC name of (3-nitro-2-pyridinyl)methylphosphonic acid (CID 69136226) is (3-nitro-2-pyridinyl)methylphosphonic acid.
What is the SMILES notation for (3-nitro-2-pyridinyl)methylphosphonic acid?
The canonical SMILES for (3-nitro-2-pyridinyl)methylphosphonic acid is O=[N+]([O-])c1cccnc1CP(=O)(O)O.
What is the InChIKey of (3-nitro-2-pyridinyl)methylphosphonic acid?
The InChIKey is LUGLWUHMBYJOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O5P/c9-8(10)6-2-1-3-7-5(6)4-14(11,12)13/h1-3H,4H2,(H2,11,12,13).
What are the key properties of (3-nitro-2-pyridinyl)methylphosphonic acid?
(3-nitro-2-pyridinyl)methylphosphonic acid has a molecular weight of 218.10 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-2-pyridinyl)methylphosphonic acid is sourced from PubChem (CID 69136226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).