(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate

C6H9N2O5P — CID 138493368

IUPAC(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate
SMILESNc1ccn(COP(=O)(O)O)c(=O)c1
InChIInChI=1S/C6H9N2O5P/c7-5-1-2-8(6(9)3-5)4-13-14(10,11)12/h1-3H,4,7H2,(H2,10,11,12)
InChIKeyPMUQGEBBZUXDLS-UHFFFAOYSA-N
MW220.12 g/mol
LogP-0.50
Rot. Bonds3

About (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate

(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate (PubChem CID 138493368) has the molecular formula C6H9N2O5P and a molecular weight of 220.12 g/mol. Its IUPAC name is (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate
PubChem CID138493368
Molecular FormulaC6H9N2O5P
Molecular Weight220.12 g/mol
Exact Mass220.02
IUPAC Name(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate
SMILESNc1ccn(COP(=O)(O)O)c(=O)c1
InChIInChI=1S/C6H9N2O5P/c7-5-1-2-8(6(9)3-5)4-13-14(10,11)12/h1-3H,4,7H2,(H2,10,11,12)
InChIKeyPMUQGEBBZUXDLS-UHFFFAOYSA-N
XLogP-0.50
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate?
The IUPAC name of (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate (CID 138493368) is (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate.
What is the SMILES notation for (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate?
The canonical SMILES for (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate is Nc1ccn(COP(=O)(O)O)c(=O)c1.
What is the InChIKey of (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate?
The InChIKey is PMUQGEBBZUXDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O5P/c7-5-1-2-8(6(9)3-5)4-13-14(10,11)12/h1-3H,4,7H2,(H2,10,11,12).
What are the key properties of (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate?
(4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate has a molecular weight of 220.12 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxo-1-pyridinyl)methyl dihydrogen phosphate is sourced from PubChem (CID 138493368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).