methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate

C8H11N2O4P — CID 170222338

IUPACmethyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate
SMILESCNn1ccc(=O)c(OP)c1C(=O)OC
InChIInChI=1S/C8H11N2O4P/c1-9-10-4-3-5(11)7(14-15)6(10)8(12)13-2/h3-4,9H,15H2,1-2H3
InChIKeyGLKXTUDNMPNYFE-UHFFFAOYSA-N
MW230.16 g/mol
LogP-0.02
Rot. Bonds3

About methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate

methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate (PubChem CID 170222338) has the molecular formula C8H11N2O4P and a molecular weight of 230.16 g/mol. Its IUPAC name is methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate
PubChem CID170222338
Molecular FormulaC8H11N2O4P
Molecular Weight230.16 g/mol
Exact Mass230.05
IUPAC Namemethyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate
SMILESCNn1ccc(=O)c(OP)c1C(=O)OC
InChIInChI=1S/C8H11N2O4P/c1-9-10-4-3-5(11)7(14-15)6(10)8(12)13-2/h3-4,9H,15H2,1-2H3
InChIKeyGLKXTUDNMPNYFE-UHFFFAOYSA-N
XLogP-0.02
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-(2,2-dimethoxyethyl)-3-methoxy-4-oxopyridine-2-carboxylate
CID 129018248
methyl 3-chloro-1-(trideuteriomethyl)pyrrole-2-carboxylate
CID 164714292
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
tetramethyl 1-(2-chlorophenyl)pyrrole-2,3,4,5-tetracarboxylate
CID 44632136
methyl 1-[(2,3-dichloro-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)amino]-4-oxo-3-phenylmethoxypyridine-2-carboxylate
CID 146598059
methyl 3-methoxy-1-methyl-2-oxopyridine-4-carboxylate
CID 123342113
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
methyl 2-methyl-4-oxo-1-phenylpyridine-3-carboxylate
CID 22769956
methyl 3-chloro-1-(3-hydroxypropyl)pyrrole-2-carboxylate
CID 134285297
methyl 2-(methylamino)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate
CID 18399054
dimethyl 1-(4-chlorophenyl)-4-oxopyridine-3,5-dicarboxylate
CID 17339243
methyl 1-methyl-3-nitropyrrole-2-carboxylate
CID 133061366

Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate?
The IUPAC name of methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate (CID 170222338) is methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate is CNn1ccc(=O)c(OP)c1C(=O)OC.
What is the InChIKey of methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate?
The InChIKey is GLKXTUDNMPNYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O4P/c1-9-10-4-3-5(11)7(14-15)6(10)8(12)13-2/h3-4,9H,15H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate?
methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate has a molecular weight of 230.16 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-4-oxo-3-phosphanyloxypyridine-2-carboxylate is sourced from PubChem (CID 170222338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).