6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

C16H15FN2O2 — CID 122057093

IUPAC6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H15FN2O2/c17-13-6-4-11(5-7-13)12-8-9-19(10-12)15-3-1-2-14(18-15)16(20)21/h1-7,12H,8-10H2,(H,20,21)
InChIKeyXZYMIKORTDBFPY-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.91
Rot. Bonds3

About 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid

6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122057093) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122057093
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H15FN2O2/c17-13-6-4-11(5-7-13)12-8-9-19(10-12)15-3-1-2-14(18-15)16(20)21/h1-7,12H,8-10H2,(H,20,21)
InChIKeyXZYMIKORTDBFPY-UHFFFAOYSA-N
XLogP2.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid (CID 122057093) is 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(c3ccc(F)cc3)C2)n1.
What is the InChIKey of 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is XZYMIKORTDBFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-13-6-4-11(5-7-13)12-8-9-19(10-12)15-3-1-2-14(18-15)16(20)21/h1-7,12H,8-10H2,(H,20,21).
What are the key properties of 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid?
6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 286.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122057093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).