1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid

C11H13FN2O2 — CID 157265000

IUPAC1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1ncc(F)cc1N1CCCC1C(=O)O
InChIInChI=1S/C11H13FN2O2/c1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyDQCGRGBOLHZYPZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.58
Rot. Bonds2

About 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid

1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 157265000) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID157265000
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1ncc(F)cc1N1CCCC1C(=O)O
InChIInChI=1S/C11H13FN2O2/c1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16)
InChIKeyDQCGRGBOLHZYPZ-UHFFFAOYSA-N
XLogP1.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid (CID 157265000) is 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1ncc(F)cc1N1CCCC1C(=O)O.
What is the InChIKey of 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DQCGRGBOLHZYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16/h5-6,9H,2-4H2,1H3,(H,15,16).
What are the key properties of 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid?
1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157265000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).