6-ethyl-5-fluoropyrimidine-4-carboxylic acid

C7H7FN2O2 — CID 165444213

IUPAC6-ethyl-5-fluoropyrimidine-4-carboxylic acid
SMILESCCc1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H7FN2O2/c1-2-4-5(8)6(7(11)12)10-3-9-4/h3H,2H2,1H3,(H,11,12)
InChIKeyQUZDYADIEYLSNI-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.88
Rot. Bonds2

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

6-ethyl-5-fluoropyrimidine-4-carboxylic acid (PubChem CID 165444213) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 6-ethyl-5-fluoropyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-fluoropyrimidine-4-carboxylic acid
PubChem CID165444213
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name6-ethyl-5-fluoropyrimidine-4-carboxylic acid
SMILESCCc1ncnc(C(=O)O)c1F
InChIInChI=1S/C7H7FN2O2/c1-2-4-5(8)6(7(11)12)10-3-9-4/h3H,2H2,1H3,(H,11,12)
InChIKeyQUZDYADIEYLSNI-UHFFFAOYSA-N
XLogP0.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-fluoropyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethyl-5-fluoropyrimidine-4-carboxylic acid (CID 165444213) is 6-ethyl-5-fluoropyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-fluoropyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-5-fluoropyrimidine-4-carboxylic acid is CCc1ncnc(C(=O)O)c1F.
What is the InChIKey of 6-ethyl-5-fluoropyrimidine-4-carboxylic acid?
The InChIKey is QUZDYADIEYLSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-2-4-5(8)6(7(11)12)10-3-9-4/h3H,2H2,1H3,(H,11,12).
What are the key properties of 6-ethyl-5-fluoropyrimidine-4-carboxylic acid?
6-ethyl-5-fluoropyrimidine-4-carboxylic acid has a molecular weight of 170.14 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-fluoropyrimidine-4-carboxylic acid is sourced from PubChem (CID 165444213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).