methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate

C11H9N3O4 — CID 135446253

IUPACmethyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C11H9N3O4/c1-18-11(17)7-8(15)10(16)14-9(13-7)6-4-2-3-5-12-6/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNAFCOZLUUAJSNY-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.32
Rot. Bonds2

About methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate

methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate (PubChem CID 135446253) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate
PubChem CID135446253
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Namemethyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O
InChIInChI=1S/C11H9N3O4/c1-18-11(17)7-8(15)10(16)14-9(13-7)6-4-2-3-5-12-6/h2-5,15H,1H3,(H,13,14,16)
InChIKeyNAFCOZLUUAJSNY-UHFFFAOYSA-N
XLogP0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate?
The IUPAC name of methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate (CID 135446253) is methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate?
The canonical SMILES for methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccccn2)[nH]c(=O)c1O.
What is the InChIKey of methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate?
The InChIKey is NAFCOZLUUAJSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-18-11(17)7-8(15)10(16)14-9(13-7)6-4-2-3-5-12-6/h2-5,15H,1H3,(H,13,14,16).
What are the key properties of methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate?
methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate has a molecular weight of 247.21 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-6-oxo-2-pyridin-2-yl-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 135446253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).