2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid

C6H4BrFN2O3 — CID 81297915

IUPAC2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cncc(Br)c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-3-1-9-2-10(5(3)11)4(8)6(12)13/h1-2,4H,(H,12,13)
InChIKeyCKWKVBLPRSNOLV-UHFFFAOYSA-N
MW251.01 g/mol
LogP0.56
Rot. Bonds2

About 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid

2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid (PubChem CID 81297915) has the molecular formula C6H4BrFN2O3 and a molecular weight of 251.01 g/mol. Its IUPAC name is 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
PubChem CID81297915
Molecular FormulaC6H4BrFN2O3
Molecular Weight251.01 g/mol
Exact Mass249.94
IUPAC Name2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)n1cncc(Br)c1=O
InChIInChI=1S/C6H4BrFN2O3/c7-3-1-9-2-10(5(3)11)4(8)6(12)13/h1-2,4H,(H,12,13)
InChIKeyCKWKVBLPRSNOLV-UHFFFAOYSA-N
XLogP0.56
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.01
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-2-(6-oxopyrimidin-1-yl)acetic acid
CID 81297777
Ethyl 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81298030
2-(5-Bromo-4-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81298031
2-(5-Bromo-2-methyl-6-oxopyrimidin-1-yl)-2-fluoroacetic acid
CID 81298162
2-Fluoro-2-(5-iodo-6-oxopyrimidin-1-yl)acetic acid
CID 81298304
2-[5-Bromo-6-oxo-4-(trifluoromethyl)pyrimidin-1-yl]acetic acid
CID 167823209
2-(5-Bromo-2-methylsulfanyl-6-oxopyrimidin-1-yl)acetic acid
CID 21099563
2-(5-Bromo-2-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 66309000
2-(5-Bromo-6-oxopyrimidin-1-yl)propanoic acid
CID 66309959
Methyl 2-(5-bromo-6-oxopyrimidin-1-yl)acetate
CID 66310172
2-(5-Bromo-6-oxopyrimidin-1-yl)acetic acid
CID 66311034
2-(5-Bromo-4-hydroxy-6-oxopyrimidin-1-yl)acetic acid
CID 136305641

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid (CID 81297915) is 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid is O=C(O)C(F)n1cncc(Br)c1=O.
What is the InChIKey of 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid?
The InChIKey is CKWKVBLPRSNOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFN2O3/c7-3-1-9-2-10(5(3)11)4(8)6(12)13/h1-2,4H,(H,12,13).
What are the key properties of 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid?
2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid has a molecular weight of 251.01 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-oxopyrimidin-1-yl)-2-fluoroacetic acid is sourced from PubChem (CID 81297915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).