5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid

C9H10FN3O2 — CID 122057813

IUPAC5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)C2)cn1
InChIInChI=1S/C9H10FN3O2/c10-6-1-2-13(5-6)8-4-11-7(3-12-8)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyNAIQOJDGVWYCTJ-UHFFFAOYSA-N
MW211.20 g/mol
LogP0.72
Rot. Bonds2

About 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid

5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 122057813) has the molecular formula C9H10FN3O2 and a molecular weight of 211.20 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID122057813
Molecular FormulaC9H10FN3O2
Molecular Weight211.20 g/mol
Exact Mass211.08
IUPAC Name5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)C2)cn1
InChIInChI=1S/C9H10FN3O2/c10-6-1-2-13(5-6)8-4-11-7(3-12-8)9(14)15/h3-4,6H,1-2,5H2,(H,14,15)
InChIKeyNAIQOJDGVWYCTJ-UHFFFAOYSA-N
XLogP0.72
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-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 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 122057813) is 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(F)C2)cn1.
What is the InChIKey of 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is NAIQOJDGVWYCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3O2/c10-6-1-2-13(5-6)8-4-11-7(3-12-8)9(14)15/h3-4,6H,1-2,5H2,(H,14,15).
What are the key properties of 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 211.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).