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

C7H7NO3 — CID 172779136

IUPACmethyl 6-oxo-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(=O)N=CC1
InChIInChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h3-4H,2H2,1H3
InChIKeyOABIKKMANLTXNV-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.09
Rot. Bonds1

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

methyl 6-oxo-3H-pyridine-4-carboxylate (PubChem CID 172779136) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is methyl 6-oxo-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-3H-pyridine-4-carboxylate
PubChem CID172779136
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Namemethyl 6-oxo-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(=O)N=CC1
InChIInChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h3-4H,2H2,1H3
InChIKeyOABIKKMANLTXNV-UHFFFAOYSA-N
XLogP0.09
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-3H-pyridine-4-carboxylate?
The IUPAC name of methyl 6-oxo-3H-pyridine-4-carboxylate (CID 172779136) is methyl 6-oxo-3H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-oxo-3H-pyridine-4-carboxylate?
The canonical SMILES for methyl 6-oxo-3H-pyridine-4-carboxylate is COC(=O)C1=CC(=O)N=CC1.
What is the InChIKey of methyl 6-oxo-3H-pyridine-4-carboxylate?
The InChIKey is OABIKKMANLTXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h3-4H,2H2,1H3.
What are the key properties of methyl 6-oxo-3H-pyridine-4-carboxylate?
methyl 6-oxo-3H-pyridine-4-carboxylate has a molecular weight of 153.14 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-3H-pyridine-4-carboxylate is sourced from PubChem (CID 172779136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).