3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid

C10H11F2N3O2 — CID 156565666

IUPAC3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1CN1CCC(F)(F)C1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)1-4-15(6-10)5-7-8(9(16)17)14-3-2-13-7/h2-3H,1,4-6H2,(H,16,17)
InChIKeyIMUWDLKMOJJVPW-UHFFFAOYSA-N
MW243.21 g/mol
LogP1.02
Rot. Bonds3

About 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid

3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid (PubChem CID 156565666) has the molecular formula C10H11F2N3O2 and a molecular weight of 243.21 g/mol. Its IUPAC name is 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid
PubChem CID156565666
Molecular FormulaC10H11F2N3O2
Molecular Weight243.21 g/mol
Exact Mass243.08
IUPAC Name3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1CN1CCC(F)(F)C1
InChIInChI=1S/C10H11F2N3O2/c11-10(12)1-4-15(6-10)5-7-8(9(16)17)14-3-2-13-7/h2-3H,1,4-6H2,(H,16,17)
InChIKeyIMUWDLKMOJJVPW-UHFFFAOYSA-N
XLogP1.02
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid (CID 156565666) is 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid is O=C(O)c1nccnc1CN1CCC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid?
The InChIKey is IMUWDLKMOJJVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O2/c11-10(12)1-4-15(6-10)5-7-8(9(16)17)14-3-2-13-7/h2-3H,1,4-6H2,(H,16,17).
What are the key properties of 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid?
3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid has a molecular weight of 243.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoropyrrolidin-1-yl)methyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 156565666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).