dimethyl hydrogen phosphate;pyridine

C7H12NO4P — CID 174868032

IUPACdimethyl hydrogen phosphate;pyridine
SMILESCOP(=O)(O)OC.c1ccncc1
InChIInChI=1S/C5H5N.C2H7O4P/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h1-5H;1-2H3,(H,3,4)
InChIKeyMYHYMMFDHVLHPH-UHFFFAOYSA-N
MW205.15 g/mol
LogP1.46
Rot. Bonds2

About dimethyl hydrogen phosphate;pyridine

dimethyl hydrogen phosphate;pyridine (PubChem CID 174868032) has the molecular formula C7H12NO4P and a molecular weight of 205.15 g/mol. Its IUPAC name is dimethyl hydrogen phosphate;pyridine.

Molecular Properties

Compound Namedimethyl hydrogen phosphate;pyridine
PubChem CID174868032
Molecular FormulaC7H12NO4P
Molecular Weight205.15 g/mol
Exact Mass205.05
IUPAC Namedimethyl hydrogen phosphate;pyridine
SMILESCOP(=O)(O)OC.c1ccncc1
InChIInChI=1S/C5H5N.C2H7O4P/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h1-5H;1-2H3,(H,3,4)
InChIKeyMYHYMMFDHVLHPH-UHFFFAOYSA-N
XLogP1.46
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl dihydrogen phosphate;pyrimidine
CID 138472642
sodium;diphosphono hydrogen phosphate;hydride;pyridine
CID 175384795
dimethyl hydrogen phosphate;heptahydrate
CID 175149976
dimethyl hydrogen phosphate;methane
CID 88807117
sodium;azane;dimethyl hydrogen phosphate;hydride
CID 175474279
pyridine;2,2,4,4-tetramethylpentan-3-yl dihydrogen phosphate
CID 175595452
methyl hydrogen sulfate;bis(pyridine);hydroiodide
CID 174832701
CID 174943555
CID 174943555
azane;platinum(2+);pyridine;chloride
CID 46181180
copper;methyl hypobromite;pyridine
CID 70454748
acetic acid;bis(pyridine);hydrate
CID 67804829
acetic acid;ethane;pyridine
CID 91392032

Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphate;pyridine?
The IUPAC name of dimethyl hydrogen phosphate;pyridine (CID 174868032) is dimethyl hydrogen phosphate;pyridine.
What is the SMILES notation for dimethyl hydrogen phosphate;pyridine?
The canonical SMILES for dimethyl hydrogen phosphate;pyridine is COP(=O)(O)OC.c1ccncc1.
What is the InChIKey of dimethyl hydrogen phosphate;pyridine?
The InChIKey is MYHYMMFDHVLHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H7O4P/c1-2-4-6-5-3-1;1-5-7(3,4)6-2/h1-5H;1-2H3,(H,3,4).
What are the key properties of dimethyl hydrogen phosphate;pyridine?
dimethyl hydrogen phosphate;pyridine has a molecular weight of 205.15 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphate;pyridine is sourced from PubChem (CID 174868032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).