2-(5-fluoropyrimidin-4-yl)propanoic acid

C7H7FN2O2 — CID 67382628

IUPAC2-(5-fluoropyrimidin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ncncc1F
InChIInChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12)
InChIKeyBOCKAXPQEHEHOB-UHFFFAOYSA-N
MW170.14 g/mol
LogP0.80
Rot. Bonds2

About 2-(5-fluoropyrimidin-4-yl)propanoic acid

2-(5-fluoropyrimidin-4-yl)propanoic acid (PubChem CID 67382628) has the molecular formula C7H7FN2O2 and a molecular weight of 170.14 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-4-yl)propanoic acid
PubChem CID67382628
Molecular FormulaC7H7FN2O2
Molecular Weight170.14 g/mol
Exact Mass170.05
IUPAC Name2-(5-fluoropyrimidin-4-yl)propanoic acid
SMILESCC(C(=O)O)c1ncncc1F
InChIInChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12)
InChIKeyBOCKAXPQEHEHOB-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-fluoropyrimidin-4-yl)propanoic 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

Methyl 2-(2-chloropyrimidin-4-yl)acetate
CID 83814915
Sodium 2-methyl-2-(pyrimidin-4-yl)propanoate
CID 137704115
Sodium 2-(5-bromopyrimidin-4-yl)acetate
CID 86346245
Sodium 2-(5-chloropyrimidin-4-yl)acetate
CID 119031653
3,3-Dimethyl-2-(pyrimidin-4-yl)butanoic acid
CID 155822370
Lithium(1+) 2-(pyrimidin-4-yl)propanoate
CID 165941279
(Pyrimidin-4-yl)acetic acid
CID 21486925
(2R)-2-amino-2-(2-aminopyrimidin-4-yl)propanoic acid
CID 57010106
2-(Pyrimidin-4-yl)propanoic acid
CID 82417173
2-Fluoroethyl 2-(5-propylpyrimidin-4-yl)acetate
CID 59382475
Ethyl 2-(5-fluoropyrimidin-4-yl)propanoate
CID 67382654
Diethyl 2-(5-fluoropyrimidin-4-yl)malonate
CID 67382762

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(5-fluoropyrimidin-4-yl)propanoic acid (CID 67382628) is 2-(5-fluoropyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoropyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoropyrimidin-4-yl)propanoic acid is CC(C(=O)O)c1ncncc1F.
What is the InChIKey of 2-(5-fluoropyrimidin-4-yl)propanoic acid?
The InChIKey is BOCKAXPQEHEHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FN2O2/c1-4(7(11)12)6-5(8)2-9-3-10-6/h2-4H,1H3,(H,11,12).
What are the key properties of 2-(5-fluoropyrimidin-4-yl)propanoic acid?
2-(5-fluoropyrimidin-4-yl)propanoic acid has a molecular weight of 170.14 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoropyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 67382628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).