(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid

C7H11N2O4P — CID 19701424

IUPAC(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid
SMILESCOc1cc(N)nc(CP(=O)(O)O)c1
InChIInChI=1S/C7H11N2O4P/c1-13-6-2-5(4-14(10,11)12)9-7(8)3-6/h2-3H,4H2,1H3,(H2,8,9)(H2,10,11,12)
InChIKeyMTKNLICZSJPLMA-UHFFFAOYSA-N
MW218.15 g/mol
LogP0.35
Rot. Bonds3

About (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid

(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid (PubChem CID 19701424) has the molecular formula C7H11N2O4P and a molecular weight of 218.15 g/mol. Its IUPAC name is (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid.

Molecular Properties

Compound Name(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid
PubChem CID19701424
Molecular FormulaC7H11N2O4P
Molecular Weight218.15 g/mol
Exact Mass218.05
IUPAC Name(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid
SMILESCOc1cc(N)nc(CP(=O)(O)O)c1
InChIInChI=1S/C7H11N2O4P/c1-13-6-2-5(4-14(10,11)12)9-7(8)3-6/h2-3H,4H2,1H3,(H2,8,9)(H2,10,11,12)
InChIKeyMTKNLICZSJPLMA-UHFFFAOYSA-N
XLogP0.35
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxyquinolin-2-yl)methylphosphonic acid
CID 67774367
6-ethenyl-4-methoxypyridin-2-amine
CID 74890977
N-[4-(6-amino-4-methyl-2-pyridinyl)butyl]-2-hydroxy-5-methoxybenzamide
CID 15887985
[5-[3-(hydroxymethyl)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]methylphosphonic acid
CID 155254192
2-(3-amino-5-methoxyphenoxy)ethyl dihydrogen phosphate
CID 131964251
(2-amino-5-methoxyphenyl) dihydrogen phosphate
CID 123556762
1,3,5-trimethoxybenzene;urea
CID 174919725
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
hydron;4-methoxypyridin-2-amine
CID 131852579
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
(6-methoxy-1-benzofuran-2-carbonyl)oxymethylphosphonic acid
CID 150972159
4-(3-methoxyphenyl)pyridine-2,6-diamine
CID 18313645

Frequently Asked Questions

What is the IUPAC name of (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid?
The IUPAC name of (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid (CID 19701424) is (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid.
What is the SMILES notation for (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid?
The canonical SMILES for (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid is COc1cc(N)nc(CP(=O)(O)O)c1.
What is the InChIKey of (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid?
The InChIKey is MTKNLICZSJPLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O4P/c1-13-6-2-5(4-14(10,11)12)9-7(8)3-6/h2-3H,4H2,1H3,(H2,8,9)(H2,10,11,12).
What are the key properties of (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid?
(6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid has a molecular weight of 218.15 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-4-methoxy-2-pyridinyl)methylphosphonic acid is sourced from PubChem (CID 19701424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).