methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate

C7H8N2O3 — CID 90741354

IUPACmethyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(N)cc1=O
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-3-9-6(8)2-5(4)10/h2-3H,1H3,(H3,8,9,10)
InChIKeyZHDDSJOOXNYBMS-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.26
Rot. Bonds1

About methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate

methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate (PubChem CID 90741354) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
PubChem CID90741354
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 6-amino-4-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(N)cc1=O
InChIInChI=1S/C7H8N2O3/c1-12-7(11)4-3-9-6(8)2-5(4)10/h2-3H,1H3,(H3,8,9,10)
InChIKeyZHDDSJOOXNYBMS-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

methyl 5-amino-2-oxo-1H-pyridine-4-carboxylate
CID 82413441
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
dimethyl 2,5-diaminobenzene-1,3-dicarboxylate
CID 46260640
methyl 2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxylate
CID 142660274
methyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 12848812
dimethyl 5-methyl-6-oxo-1H-pyridine-3,4-dicarboxylate
CID 15441123
dimethyl 3-methoxy-4-oxo-1H-pyridine-2,5-dicarboxylate
CID 126633344
methyl 5-methyl-4-oxo-1H-pyridine-3-carboxylate
CID 119084145
methyl 6-amino-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130104944
3,4-bis(methoxycarbonyl)-1H-pyrrole-2-carboxylic acid
CID 70300022
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate (CID 90741354) is methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(N)cc1=O.
What is the InChIKey of methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate?
The InChIKey is ZHDDSJOOXNYBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-7(11)4-3-9-6(8)2-5(4)10/h2-3H,1H3,(H3,8,9,10).
What are the key properties of methyl 6-amino-4-oxo-1H-pyridine-3-carboxylate?
methyl 6-amino-4-oxo-1H-pyridine-3-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 6-amino-4-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 90741354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).