amino pyridin-2-yl hydrogen phosphate

C5H7N2O4P — CID 177471611

IUPACamino pyridin-2-yl hydrogen phosphate
SMILESNOP(=O)(O)Oc1ccccn1
InChIInChI=1S/C5H7N2O4P/c6-11-12(8,9)10-5-3-1-2-4-7-5/h1-4H,6H2,(H,8,9)
InChIKeyXMTWGSMFQPKAMP-UHFFFAOYSA-N
MW190.10 g/mol
LogP0.45
Rot. Bonds3

About amino pyridin-2-yl hydrogen phosphate

amino pyridin-2-yl hydrogen phosphate (PubChem CID 177471611) has the molecular formula C5H7N2O4P and a molecular weight of 190.10 g/mol. Its IUPAC name is amino pyridin-2-yl hydrogen phosphate.

Molecular Properties

Compound Nameamino pyridin-2-yl hydrogen phosphate
PubChem CID177471611
Molecular FormulaC5H7N2O4P
Molecular Weight190.10 g/mol
Exact Mass190.01
IUPAC Nameamino pyridin-2-yl hydrogen phosphate
SMILESNOP(=O)(O)Oc1ccccn1
InChIInChI=1S/C5H7N2O4P/c6-11-12(8,9)10-5-3-1-2-4-7-5/h1-4H,6H2,(H,8,9)
InChIKeyXMTWGSMFQPKAMP-UHFFFAOYSA-N
XLogP0.45
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
CID 91127748
2-[amino(hydroxy)phosphinothioyl]oxypyridine
CID 149253940
dipyridin-2-yl carbonate
CID 2757370
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
dimethoxy-pyridin-2-yloxy-sulfanylidene-λ5-phosphane
CID 56627944
chloro ethyl pyridin-2-yl phosphate
CID 21223098
2-[amino(ethoxy)phosphinothioyl]oxypyridine
CID 54273491
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
methyl 2-pyridin-2-yloxyacetate
CID 45091085
CID 175111854
CID 175111854
2-methoxypyridine
CID 71774587

Frequently Asked Questions

What is the IUPAC name of amino pyridin-2-yl hydrogen phosphate?
The IUPAC name of amino pyridin-2-yl hydrogen phosphate (CID 177471611) is amino pyridin-2-yl hydrogen phosphate.
What is the SMILES notation for amino pyridin-2-yl hydrogen phosphate?
The canonical SMILES for amino pyridin-2-yl hydrogen phosphate is NOP(=O)(O)Oc1ccccn1.
What is the InChIKey of amino pyridin-2-yl hydrogen phosphate?
The InChIKey is XMTWGSMFQPKAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N2O4P/c6-11-12(8,9)10-5-3-1-2-4-7-5/h1-4H,6H2,(H,8,9).
What are the key properties of amino pyridin-2-yl hydrogen phosphate?
amino pyridin-2-yl hydrogen phosphate has a molecular weight of 190.10 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino pyridin-2-yl hydrogen phosphate is sourced from PubChem (CID 177471611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).