2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid

C17H17FN2O2 — CID 136550173

IUPAC2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccccc1F)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-6-2-1-5-14(15)16(17(21)22)20-9-7-13(11-20)12-4-3-8-19-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,21,22)
InChIKeyUTAJAGSEXRCSND-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid

2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid (PubChem CID 136550173) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
PubChem CID136550173
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid
SMILESO=C(O)C(c1ccccc1F)N1CCC(c2cccnc2)C1
InChIInChI=1S/C17H17FN2O2/c18-15-6-2-1-5-14(15)16(17(21)22)20-9-7-13(11-20)12-4-3-8-19-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,21,22)
InChIKeyUTAJAGSEXRCSND-UHFFFAOYSA-N
XLogP2.84
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid (CID 136550173) is 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid is O=C(O)C(c1ccccc1F)N1CCC(c2cccnc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
The InChIKey is UTAJAGSEXRCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c18-15-6-2-1-5-14(15)16(17(21)22)20-9-7-13(11-20)12-4-3-8-19-10-12/h1-6,8,10,13,16H,7,9,11H2,(H,21,22).
What are the key properties of 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid?
2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid has a molecular weight of 300.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(3-pyridin-3-ylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 136550173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).