5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid

C9H9F2N3O2 — CID 122054752

IUPAC5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)C2)cn1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)1-2-14(5-9)7-4-12-6(3-13-7)8(15)16/h3-4H,1-2,5H2,(H,15,16)
InChIKeyNDSNGXHDQXFHBE-UHFFFAOYSA-N
MW229.19 g/mol
LogP1.02
Rot. Bonds2

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

5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid (PubChem CID 122054752) has the molecular formula C9H9F2N3O2 and a molecular weight of 229.19 g/mol. Its IUPAC name is 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
PubChem CID122054752
Molecular FormulaC9H9F2N3O2
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(F)(F)C2)cn1
InChIInChI=1S/C9H9F2N3O2/c10-9(11)1-2-14(5-9)7-4-12-6(3-13-7)8(15)16/h3-4H,1-2,5H2,(H,15,16)
InChIKeyNDSNGXHDQXFHBE-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid (CID 122054752) is 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(F)(F)C2)cn1.
What is the InChIKey of 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
The InChIKey is NDSNGXHDQXFHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O2/c10-9(11)1-2-14(5-9)7-4-12-6(3-13-7)8(15)16/h3-4H,1-2,5H2,(H,15,16).
What are the key properties of 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid?
5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid has a molecular weight of 229.19 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropyrrolidin-1-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).