[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium

C8H13N2O2P2+ — CID 59068635

IUPAC[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium
SMILESC[P+](=O)C(N)P(C)(=O)c1ccccn1
InChIInChI=1S/C8H13N2O2P2/c1-13(11)8(9)14(2,12)7-5-3-4-6-10-7/h3-6,8H,9H2,1-2H3/q+1
InChIKeyIUFODWKPEVNQEU-UHFFFAOYSA-N
MW231.15 g/mol
LogP1.40
Rot. Bonds3

About [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium

[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium (PubChem CID 59068635) has the molecular formula C8H13N2O2P2+ and a molecular weight of 231.15 g/mol. Its IUPAC name is [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium.

Molecular Properties

Compound Name[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium
PubChem CID59068635
Molecular FormulaC8H13N2O2P2+
Molecular Weight231.15 g/mol
Exact Mass231.04
IUPAC Name[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium
SMILESC[P+](=O)C(N)P(C)(=O)c1ccccn1
InChIInChI=1S/C8H13N2O2P2/c1-13(11)8(9)14(2,12)7-5-3-4-6-10-7/h3-6,8H,9H2,1-2H3/q+1
InChIKeyIUFODWKPEVNQEU-UHFFFAOYSA-N
XLogP1.40
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 51.40
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

1-amino-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634519
1-hydroxy-1-[methyl(pyridin-2-yl)phosphoryl]propan-2-one
CID 20634527
2-[[azido(dimethylphosphoryl)methyl]-methylphosphoryl]pyridine
CID 20634532
2-diphenylphosphorylpyridine
CID 3496437
dicopper;tetrakis(hydroxy(pyridin-2-yl)phosphinate)
CID 139152529
2-[methylsulfanyl(phenyl)phosphoryl]pyridine
CID 166659297
2-[1-[hydroxy(pyridin-2-yl)phosphoryl]ethyl]pentanedioic acid
CID 19357725
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
CID 89242036
[amino(pyridin-2-yloxy)phosphoryl]phosphonic acid
CID 91127748
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471

Frequently Asked Questions

What is the IUPAC name of [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium?
The IUPAC name of [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium (CID 59068635) is [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium.
What is the SMILES notation for [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium?
The canonical SMILES for [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium is C[P+](=O)C(N)P(C)(=O)c1ccccn1.
What is the InChIKey of [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium?
The InChIKey is IUFODWKPEVNQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2O2P2/c1-13(11)8(9)14(2,12)7-5-3-4-6-10-7/h3-6,8H,9H2,1-2H3/q+1.
What are the key properties of [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium?
[amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium has a molecular weight of 231.15 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[methyl(pyridin-2-yl)phosphoryl]methyl]-methyl-oxophosphanium is sourced from PubChem (CID 59068635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).