3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid

C9H11F2N3O3 — CID 166312206

IUPAC3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid
SMILESCC(CNc1nccnc1C(=O)O)OC(F)F
InChIInChI=1S/C9H11F2N3O3/c1-5(17-9(10)11)4-14-7-6(8(15)16)12-2-3-13-7/h2-3,5,9H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIIOHZOKTUAATOX-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.21
Rot. Bonds6

About 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid

3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid (PubChem CID 166312206) has the molecular formula C9H11F2N3O3 and a molecular weight of 247.20 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid
PubChem CID166312206
Molecular FormulaC9H11F2N3O3
Molecular Weight247.20 g/mol
Exact Mass247.08
IUPAC Name3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid
SMILESCC(CNc1nccnc1C(=O)O)OC(F)F
InChIInChI=1S/C9H11F2N3O3/c1-5(17-9(10)11)4-14-7-6(8(15)16)12-2-3-13-7/h2-3,5,9H,4H2,1H3,(H,13,14)(H,15,16)
InChIKeyIIOHZOKTUAATOX-UHFFFAOYSA-N
XLogP1.21
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[2-(difluoromethoxy)propylamino]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 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid (CID 166312206) is 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid is CC(CNc1nccnc1C(=O)O)OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid?
The InChIKey is IIOHZOKTUAATOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O3/c1-5(17-9(10)11)4-14-7-6(8(15)16)12-2-3-13-7/h2-3,5,9H,4H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid?
3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid has a molecular weight of 247.20 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)propylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166312206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).