6-acetyl-5-fluoropyrimidine-4-carboxylic acid

C7H5FN2O3 — CID 59802565

IUPAC6-acetyl-5-fluoropyrimidine-4-carboxylic acid
SMILESCC(=O)c1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H5FN2O3/c1-3(11)5-4(8)6(7(12)13)10-2-9-5/h2H,1H3,(H,12,13)
InChIKeyLMLLISPGDQPMIR-UHFFFAOYSA-N
MW184.13 g/mol
LogP0.52
Rot. Bonds2

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

6-acetyl-5-fluoropyrimidine-4-carboxylic acid (PubChem CID 59802565) has the molecular formula C7H5FN2O3 and a molecular weight of 184.13 g/mol. Its IUPAC name is 6-acetyl-5-fluoropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-acetyl-5-fluoropyrimidine-4-carboxylic acid
PubChem CID59802565
Molecular FormulaC7H5FN2O3
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name6-acetyl-5-fluoropyrimidine-4-carboxylic acid
SMILESCC(=O)c1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H5FN2O3/c1-3(11)5-4(8)6(7(12)13)10-2-9-5/h2H,1H3,(H,12,13)
InChIKeyLMLLISPGDQPMIR-UHFFFAOYSA-N
XLogP0.52
TPSA80.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-acetyl-5-fluoropyrimidine-4-carboxylic 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

5-Fluoro-6-(methoxycarbonyl)pyrimidine-4-carboxylic acid
CID 59461131
Methyl 6-acetyl-5-fluoropyrimidine-4-carboxylate
CID 59802527
6-[3-(2-Fluoro-3,4-dihydropyridin-6-yl)propyl]pyrimidine-4-carboxylic acid
CID 163559819
6-Tert-butyl-5-fluoropyrimidine-4-carboxylic acid
CID 164829686
6-Ethyl-5-fluoropyrimidine-4-carboxylic acid
CID 165444213
6-Ethyl-5-fluoro-2-methylpyrimidine-4-carboxylic acid
CID 165572616
5-Fluoro-6-methylpyrimidine-4-carboxylic acid
CID 165587988
2,6-Diethyl-5-fluoropyrimidine-4-carboxylic acid
CID 165795934
Methyl 6-ethyl-5-fluoropyrimidine-4-carboxylate
CID 168016903
5-Fluoro-6-propylpyrimidine-4-carboxylic acid
CID 168016912
Methyl 5-fluoro-6-propylpyrimidine-4-carboxylate
CID 168016913
5-Fluoro-6-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 168016922

Frequently Asked Questions

What is the IUPAC name of 6-acetyl-5-fluoropyrimidine-4-carboxylic acid?
The IUPAC name of 6-acetyl-5-fluoropyrimidine-4-carboxylic acid (CID 59802565) is 6-acetyl-5-fluoropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-acetyl-5-fluoropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-acetyl-5-fluoropyrimidine-4-carboxylic acid is CC(=O)c1ncnc(C(=O)O)c1F.
What is the InChIKey of 6-acetyl-5-fluoropyrimidine-4-carboxylic acid?
The InChIKey is LMLLISPGDQPMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O3/c1-3(11)5-4(8)6(7(12)13)10-2-9-5/h2H,1H3,(H,12,13).
What are the key properties of 6-acetyl-5-fluoropyrimidine-4-carboxylic acid?
6-acetyl-5-fluoropyrimidine-4-carboxylic acid has a molecular weight of 184.13 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-5-fluoropyrimidine-4-carboxylic acid is sourced from PubChem (CID 59802565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).