6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid

C10H7N3O3 — CID 83821695

IUPAC6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2cncnc2)c1
InChIInChI=1S/C10H7N3O3/c14-9-2-1-7(10(15)16)5-13(9)8-3-11-6-12-4-8/h1-6H,(H,15,16)
InChIKeySDNJBNFNDFFOAM-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.33
Rot. Bonds2

About 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid

6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid (PubChem CID 83821695) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
PubChem CID83821695
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(-c2cncnc2)c1
InChIInChI=1S/C10H7N3O3/c14-9-2-1-7(10(15)16)5-13(9)8-3-11-6-12-4-8/h1-6H,(H,15,16)
InChIKeySDNJBNFNDFFOAM-UHFFFAOYSA-N
XLogP0.33
TPSA85.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The IUPAC name of 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid (CID 83821695) is 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The canonical SMILES for 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(-c2cncnc2)c1.
What is the InChIKey of 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
The InChIKey is SDNJBNFNDFFOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-9-2-1-7(10(15)16)5-13(9)8-3-11-6-12-4-8/h1-6H,(H,15,16).
What are the key properties of 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid?
6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-pyrimidin-5-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 83821695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).