5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid

C11H9N3O4 — CID 135788271

IUPAC5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESCn1c(-c2ccccn2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C11H9N3O4/c1-14-9(6-4-2-3-5-12-6)13-7(11(17)18)8(15)10(14)16/h2-5,15H,1H3,(H,17,18)
InChIKeySSXSBFIOXUISAL-UHFFFAOYSA-N
MW247.21 g/mol
LogP0.25
Rot. Bonds2

About 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid

5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid (PubChem CID 135788271) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
PubChem CID135788271
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid
SMILESCn1c(-c2ccccn2)nc(C(=O)O)c(O)c1=O
InChIInChI=1S/C11H9N3O4/c1-14-9(6-4-2-3-5-12-6)13-7(11(17)18)8(15)10(14)16/h2-5,15H,1H3,(H,17,18)
InChIKeySSXSBFIOXUISAL-UHFFFAOYSA-N
XLogP0.25
TPSA105.31 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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid (CID 135788271) is 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid is Cn1c(-c2ccccn2)nc(C(=O)O)c(O)c1=O.
What is the InChIKey of 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is SSXSBFIOXUISAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c1-14-9(6-4-2-3-5-12-6)13-7(11(17)18)8(15)10(14)16/h2-5,15H,1H3,(H,17,18).
What are the key properties of 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid?
5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 247.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-6-oxo-2-pyridin-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 135788271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).