5-fluoro-6-methoxypyrimidine-4-carboxylic acid

C6H5FN2O3 — CID 91812170

IUPAC5-fluoro-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1ncnc(C(=O)O)c1F
InChIInChI=1S/C6H5FN2O3/c1-12-5-3(7)4(6(10)11)8-2-9-5/h2H,1H3,(H,10,11)
InChIKeyTZVXLXQBWRZBHT-UHFFFAOYSA-N
MW172.12 g/mol
LogP0.32
Rot. Bonds2

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

5-fluoro-6-methoxypyrimidine-4-carboxylic acid (PubChem CID 91812170) has the molecular formula C6H5FN2O3 and a molecular weight of 172.12 g/mol. Its IUPAC name is 5-fluoro-6-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-6-methoxypyrimidine-4-carboxylic acid
PubChem CID91812170
Molecular FormulaC6H5FN2O3
Molecular Weight172.12 g/mol
Exact Mass172.03
IUPAC Name5-fluoro-6-methoxypyrimidine-4-carboxylic acid
SMILESCOc1ncnc(C(=O)O)c1F
InChIInChI=1S/C6H5FN2O3/c1-12-5-3(7)4(6(10)11)8-2-9-5/h2H,1H3,(H,10,11)
InChIKeyTZVXLXQBWRZBHT-UHFFFAOYSA-N
XLogP0.32
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethoxypyrimidine-4-carboxylic acid
CID 2736210
6-methoxypyrimidine-4-carboxylic Acid
CID 3300297
6-Methoxy-2-(trifluoromethyl)-4-pyrimidinecarboxylic acid
CID 83822724
Ethyl 6-(difluoromethoxy)-5-methylpyrimidine-4-carboxylate
CID 117819052
6-(Difluoromethoxy)-5-methylpyrimidine-4-carboxylic acid
CID 117819056
Ethyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 126751913
6-(Difluoromethoxy)-5-methylpyrimidine-4-carboxylate
CID 131733657
Methyl 5-fluoro-6-methoxypyrimidine-4-carboxylate
CID 152009770
Methyl 6-(difluoromethoxy)pyrimidine-4-carboxylate
CID 161698620
6-(2-Fluoroethoxy)pyrimidine-4-carboxylic acid
CID 166038660
6-(Difluoromethoxy)pyrimidine-4-carboxylic acid
CID 175172934
2-Amino-6-methoxypyrimidine-4-carboxylic acid
CID 240533

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 5-fluoro-6-methoxypyrimidine-4-carboxylic acid (CID 91812170) is 5-fluoro-6-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-fluoro-6-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 5-fluoro-6-methoxypyrimidine-4-carboxylic acid is COc1ncnc(C(=O)O)c1F.
What is the InChIKey of 5-fluoro-6-methoxypyrimidine-4-carboxylic acid?
The InChIKey is TZVXLXQBWRZBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O3/c1-12-5-3(7)4(6(10)11)8-2-9-5/h2H,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methoxypyrimidine-4-carboxylic acid?
5-fluoro-6-methoxypyrimidine-4-carboxylic acid has a molecular weight of 172.12 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 91812170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).