4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid

C10H7N3O3 — CID 174322324

IUPAC4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc(=O)c1-c1ncccn1
InChIInChI=1S/C10H7N3O3/c14-6-2-5-11-8(10(15)16)7(6)9-12-3-1-4-13-9/h1-5H,(H,11,14)(H,15,16)
InChIKeyFHZOWVBFTLQENP-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.53
Rot. Bonds2

About 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid

4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid (PubChem CID 174322324) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid
PubChem CID174322324
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc(=O)c1-c1ncccn1
InChIInChI=1S/C10H7N3O3/c14-6-2-5-11-8(10(15)16)7(6)9-12-3-1-4-13-9/h1-5H,(H,11,14)(H,15,16)
InChIKeyFHZOWVBFTLQENP-UHFFFAOYSA-N
XLogP0.53
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid (CID 174322324) is 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]ccc(=O)c1-c1ncccn1.
What is the InChIKey of 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid?
The InChIKey is FHZOWVBFTLQENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-6-2-5-11-8(10(15)16)7(6)9-12-3-1-4-13-9/h1-5H,(H,11,14)(H,15,16).
What are the key properties of 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid?
4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-pyrimidin-2-yl-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 174322324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).