5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid

C7H5FN2O4 — CID 59461131

IUPAC5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid
SMILESCOC(=O)c1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12)
InChIKeyMTGQXGCGAKLDQT-UHFFFAOYSA-N
MW200.12 g/mol
LogP0.10
Rot. Bonds2

About 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid

5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid (PubChem CID 59461131) has the molecular formula C7H5FN2O4 and a molecular weight of 200.12 g/mol. Its IUPAC name is 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid
PubChem CID59461131
Molecular FormulaC7H5FN2O4
Molecular Weight200.12 g/mol
Exact Mass200.02
IUPAC Name5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid
SMILESCOC(=O)c1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12)
InChIKeyMTGQXGCGAKLDQT-UHFFFAOYSA-N
XLogP0.10
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.12
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-methoxycarbonylpyrimidine-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

Pyrimidine-4,6-dicarboxylic acid
CID 239360
Methyl 6-amino-5-fluoropyrimidine-4-carboxylate
CID 130058484
Dimethyl pyrimidine-4,6-dicarboxylate
CID 239362
Methyl 6-acetyl-5-fluoropyrimidine-4-carboxylate
CID 59802527
Methyl 5-fluoro-6-methylpyrimidine-4-carboxylate
CID 59802530
6-Acetyl-5-fluoropyrimidine-4-carboxylic acid
CID 59802565
Methyl 6-(trifluoromethyl)pyrimidine-4-carboxylate
CID 89990953
Methyl 6-(dimethylcarbamoyl)-5-fluoropyrimidine-4-carboxylate
CID 91247077
Methyl 5-fluoro-6-formylpyrimidine-4-carboxylate
CID 130026282
Ethyl 5-fluoro-6-methylpyrimidine-4-carboxylate
CID 145293421
Pyrimidine-4,6-dicarboxylic acid dihydrate
CID 139151595
Potassium pyrimidine-4,6-dicarboxylate acid
CID 139151596

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid (CID 59461131) is 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid is COC(=O)c1ncnc(C(=O)O)c1F.
What is the InChIKey of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid?
The InChIKey is MTGQXGCGAKLDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O4/c1-14-7(13)5-3(8)4(6(11)12)9-2-10-5/h2H,1H3,(H,11,12).
What are the key properties of 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid?
5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid has a molecular weight of 200.12 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxycarbonylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 59461131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).