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

C5H3BrN2O3 — CID 130642777

IUPAC5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C5H3BrN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyUZQVNUQDWOMUSX-UHFFFAOYSA-N
MW218.99 g/mol
LogP0.23
Rot. Bonds1

About 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid

5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid (PubChem CID 130642777) has the molecular formula C5H3BrN2O3 and a molecular weight of 218.99 g/mol. Its IUPAC name is 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid
PubChem CID130642777
Molecular FormulaC5H3BrN2O3
Molecular Weight218.99 g/mol
Exact Mass217.93
IUPAC Name5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid
SMILESO=C(O)c1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C5H3BrN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9)
InChIKeyUZQVNUQDWOMUSX-UHFFFAOYSA-N
XLogP0.23
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.99
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The IUPAC name of 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid (CID 130642777) is 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid is O=C(O)c1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid?
The InChIKey is UZQVNUQDWOMUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN2O3/c6-2-1-7-3(5(10)11)8-4(2)9/h1H,(H,10,11)(H,7,8,9).
What are the key properties of 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid?
5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid has a molecular weight of 218.99 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-oxo-1H-pyrimidine-2-carboxylic acid is sourced from PubChem (CID 130642777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).