2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid

C6H5BrN2O3 — CID 83867173

IUPAC2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)ncc1Br
InChIInChI=1S/C6H5BrN2O3/c7-3-2-8-6(12)9-4(3)1-5(10)11/h2H,1H2,(H,10,11)(H,8,9,12)
InChIKeyRRBINMZTUYBCQC-UHFFFAOYSA-N
MW233.02 g/mol
LogP0.16
Rot. Bonds2

About 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid

2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83867173) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83867173
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESO=C(O)Cc1[nH]c(=O)ncc1Br
InChIInChI=1S/C6H5BrN2O3/c7-3-2-8-6(12)9-4(3)1-5(10)11/h2H,1H2,(H,10,11)(H,8,9,12)
InChIKeyRRBINMZTUYBCQC-UHFFFAOYSA-N
XLogP0.16
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 21113461
2-(5-methyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 82413431
2-(4-amino-5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83867161
2-(5-bromo-2-sulfanylidene-1H-pyrimidin-6-yl)acetic acid
CID 83867193
2-(5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83869019

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83867173) is 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid is O=C(O)Cc1[nH]c(=O)ncc1Br.
What is the InChIKey of 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is RRBINMZTUYBCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c7-3-2-8-6(12)9-4(3)1-5(10)11/h2H,1H2,(H,10,11)(H,8,9,12).
What are the key properties of 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 233.02 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83867173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).