2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid

C7H6FIN2O3 — CID 81298526

IUPAC2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1ncc(I)c(=O)n1C(F)C(=O)O
InChIInChI=1S/C7H6FIN2O3/c1-3-10-2-4(9)6(12)11(3)5(8)7(13)14/h2,5H,1H3,(H,13,14)
InChIKeySOZHNGKYCDWMPX-UHFFFAOYSA-N
MW312.04 g/mol
LogP0.71
Rot. Bonds2

About 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid

2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid (PubChem CID 81298526) has the molecular formula C7H6FIN2O3 and a molecular weight of 312.04 g/mol. Its IUPAC name is 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid
PubChem CID81298526
Molecular FormulaC7H6FIN2O3
Molecular Weight312.04 g/mol
Exact Mass311.94
IUPAC Name2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid
SMILESCc1ncc(I)c(=O)n1C(F)C(=O)O
InChIInChI=1S/C7H6FIN2O3/c1-3-10-2-4(9)6(12)11(3)5(8)7(13)14/h2,5H,1H3,(H,13,14)
InChIKeySOZHNGKYCDWMPX-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.04
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid (CID 81298526) is 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid is Cc1ncc(I)c(=O)n1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid?
The InChIKey is SOZHNGKYCDWMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2O3/c1-3-10-2-4(9)6(12)11(3)5(8)7(13)14/h2,5H,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid?
2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid has a molecular weight of 312.04 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 81298526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).