6-acetamido-5-fluoropyrimidine-4-carboxylic acid

C7H6FN3O3 — CID 167727873

IUPAC6-acetamido-5-fluoropyrimidine-4-carboxylic acid
SMILESCC(=O)Nc1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H6FN3O3/c1-3(12)11-6-4(8)5(7(13)14)9-2-10-6/h2H,1H3,(H,13,14)(H,9,10,11,12)
InChIKeyDAEZOTBJGQMGOG-UHFFFAOYSA-N
MW199.14 g/mol
LogP0.27
Rot. Bonds2

About 6-acetamido-5-fluoropyrimidine-4-carboxylic acid

6-acetamido-5-fluoropyrimidine-4-carboxylic acid (PubChem CID 167727873) has the molecular formula C7H6FN3O3 and a molecular weight of 199.14 g/mol. Its IUPAC name is 6-acetamido-5-fluoropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-acetamido-5-fluoropyrimidine-4-carboxylic acid
PubChem CID167727873
Molecular FormulaC7H6FN3O3
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Name6-acetamido-5-fluoropyrimidine-4-carboxylic acid
SMILESCC(=O)Nc1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H6FN3O3/c1-3(12)11-6-4(8)5(7(13)14)9-2-10-6/h2H,1H3,(H,13,14)(H,9,10,11,12)
InChIKeyDAEZOTBJGQMGOG-UHFFFAOYSA-N
XLogP0.27
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-5-fluoropyrimidine-4-carboxylic acid?
The IUPAC name of 6-acetamido-5-fluoropyrimidine-4-carboxylic acid (CID 167727873) is 6-acetamido-5-fluoropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-acetamido-5-fluoropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-acetamido-5-fluoropyrimidine-4-carboxylic acid is CC(=O)Nc1ncnc(C(=O)O)c1F.
What is the InChIKey of 6-acetamido-5-fluoropyrimidine-4-carboxylic acid?
The InChIKey is DAEZOTBJGQMGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O3/c1-3(12)11-6-4(8)5(7(13)14)9-2-10-6/h2H,1H3,(H,13,14)(H,9,10,11,12).
What are the key properties of 6-acetamido-5-fluoropyrimidine-4-carboxylic acid?
6-acetamido-5-fluoropyrimidine-4-carboxylic acid has a molecular weight of 199.14 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-5-fluoropyrimidine-4-carboxylic acid is sourced from PubChem (CID 167727873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).