6-oxo-1H-pyrimidine-2-carboxylic acid

C5H4N2O3 — CID 18327799

IUPAC6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(=O)[nH]1
InChIInChI=1S/C5H4N2O3/c8-3-1-2-6-4(7-3)5(9)10/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyHLLRKOPFFAKBRC-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.53
Rot. Bonds1

About 6-oxo-1H-pyrimidine-2-carboxylic acid

6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 18327799) has the molecular formula C5H4N2O3 and a molecular weight of 140.10 g/mol. Its IUPAC name is 6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID18327799
Molecular FormulaC5H4N2O3
Molecular Weight140.10 g/mol
Exact Mass140.02
IUPAC Name6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(=O)[nH]1
InChIInChI=1S/C5H4N2O3/c8-3-1-2-6-4(7-3)5(9)10/h1-2H,(H,9,10)(H,6,7,8)
InChIKeyHLLRKOPFFAKBRC-UHFFFAOYSA-N
XLogP-0.53
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 6-oxo-1H-pyrimidine-2-carboxylic acid (CID 18327799) is 6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-oxo-1H-pyrimidine-2-carboxylic acid is O=C(O)c1nccc(=O)[nH]1.
What is the InChIKey of 6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is HLLRKOPFFAKBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O3/c8-3-1-2-6-4(7-3)5(9)10/h1-2H,(H,9,10)(H,6,7,8).
What are the key properties of 6-oxo-1H-pyrimidine-2-carboxylic acid?
6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 140.10 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 18327799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).