methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate

C12H10N2O3 — CID 46317623

IUPACmethyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(-c2cccnc2)c1
InChIInChI=1S/C12H10N2O3/c1-17-12(16)9-5-10(11(15)14-7-9)8-3-2-4-13-6-8/h2-7H,1H3,(H,14,15)
InChIKeyWSDJKGGNOXPXHG-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.22
Rot. Bonds2

About methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate

methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate (PubChem CID 46317623) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
PubChem CID46317623
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Namemethyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1c[nH]c(=O)c(-c2cccnc2)c1
InChIInChI=1S/C12H10N2O3/c1-17-12(16)9-5-10(11(15)14-7-9)8-3-2-4-13-6-8/h2-7H,1H3,(H,14,15)
InChIKeyWSDJKGGNOXPXHG-UHFFFAOYSA-N
XLogP1.22
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate (CID 46317623) is methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate is COC(=O)c1c[nH]c(=O)c(-c2cccnc2)c1.
What is the InChIKey of methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate?
The InChIKey is WSDJKGGNOXPXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-17-12(16)9-5-10(11(15)14-7-9)8-3-2-4-13-6-8/h2-7H,1H3,(H,14,15).
What are the key properties of methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate?
methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate has a molecular weight of 230.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-5-pyridin-3-yl-1H-pyridine-3-carboxylate is sourced from PubChem (CID 46317623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).