4-fluoropyrimidine-2-carboxylic acid

C5H3FN2O2 — CID 18327789

IUPAC4-fluoropyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(F)n1
InChIInChI=1S/C5H3FN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChIKeyHKSHDMWLXNMEFH-UHFFFAOYSA-N
MW142.09 g/mol
LogP0.31
Rot. Bonds1

About 4-fluoropyrimidine-2-carboxylic acid

4-fluoropyrimidine-2-carboxylic acid (PubChem CID 18327789) has the molecular formula C5H3FN2O2 and a molecular weight of 142.09 g/mol. Its IUPAC name is 4-fluoropyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoropyrimidine-2-carboxylic acid
PubChem CID18327789
Molecular FormulaC5H3FN2O2
Molecular Weight142.09 g/mol
Exact Mass142.02
IUPAC Name4-fluoropyrimidine-2-carboxylic acid
SMILESO=C(O)c1nccc(F)n1
InChIInChI=1S/C5H3FN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10)
InChIKeyHKSHDMWLXNMEFH-UHFFFAOYSA-N
XLogP0.31
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoropyrimidine-2-carboxylic acid?
The IUPAC name of 4-fluoropyrimidine-2-carboxylic acid (CID 18327789) is 4-fluoropyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-fluoropyrimidine-2-carboxylic acid?
The canonical SMILES for 4-fluoropyrimidine-2-carboxylic acid is O=C(O)c1nccc(F)n1.
What is the InChIKey of 4-fluoropyrimidine-2-carboxylic acid?
The InChIKey is HKSHDMWLXNMEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3FN2O2/c6-3-1-2-7-4(8-3)5(9)10/h1-2H,(H,9,10).
What are the key properties of 4-fluoropyrimidine-2-carboxylic acid?
4-fluoropyrimidine-2-carboxylic acid has a molecular weight of 142.09 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoropyrimidine-2-carboxylic acid is sourced from PubChem (CID 18327789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).