methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate

C7H8N2O3 — CID 82413441

IUPACmethyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]cc1N
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyGQCCKLHNVBXTBF-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.26
Rot. Bonds1

About methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate

methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate (PubChem CID 82413441) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
PubChem CID82413441
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
SMILESCOC(=O)c1cc(=O)[nH]cc1N
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,8H2,1H3,(H,9,10)
InChIKeyGQCCKLHNVBXTBF-UHFFFAOYSA-N
XLogP-0.26
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
CID 90741354
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
dimethyl 2-amino-5-iodobenzene-1,4-dicarboxylate
CID 156788042
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
methyl 2-amino-5-methoxybenzoate
CID 13052275
CID 144556963
CID 144556963
methyl 6-amino-2-oxo-1H-quinoline-4-carboxylate
CID 125474812
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
azane;methyl 2-amino-5-iodobenzoate
CID 122622802

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate (CID 82413441) is methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate is COC(=O)c1cc(=O)[nH]cc1N.
What is the InChIKey of methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate?
The InChIKey is GQCCKLHNVBXTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3H,8H2,1H3,(H,9,10).
What are the key properties of methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate?
methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate has a molecular weight of 168.15 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate is sourced from PubChem (CID 82413441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).