2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid

C11H12F2N2O2 — CID 118560212

IUPAC2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O2/c12-11(13)3-4-15(7-11)9-2-1-8(6-14-9)5-10(16)17/h1-2,6H,3-5,7H2,(H,16,17)
InChIKeyRPIURLLHBSTSHP-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.55
Rot. Bonds3

About 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid

2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid (PubChem CID 118560212) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid
PubChem CID118560212
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid
SMILESO=C(O)Cc1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O2/c12-11(13)3-4-15(7-11)9-2-1-8(6-14-9)5-10(16)17/h1-2,6H,3-5,7H2,(H,16,17)
InChIKeyRPIURLLHBSTSHP-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid (CID 118560212) is 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid is O=C(O)Cc1ccc(N2CCC(F)(F)C2)nc1.
What is the InChIKey of 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid?
The InChIKey is RPIURLLHBSTSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-11(13)3-4-15(7-11)9-2-1-8(6-14-9)5-10(16)17/h1-2,6H,3-5,7H2,(H,16,17).
What are the key properties of 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid?
2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid has a molecular weight of 242.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118560212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).