3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid

C11H13FN2O2 — CID 131871286

IUPAC3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc([C@@H]2CCCCN2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-8-5-7(6-14-10(8)11(15)16)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2,(H,15,16)/t9-/m0/s1
InChIKeyFVKWKTKNNYCADQ-VIFPVBQESA-N
MW224.23 g/mol
LogP1.73
Rot. Bonds2

About 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid

3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid (PubChem CID 131871286) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
PubChem CID131871286
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc([C@@H]2CCCCN2)cc1F
InChIInChI=1S/C11H13FN2O2/c12-8-5-7(6-14-10(8)11(15)16)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2,(H,15,16)/t9-/m0/s1
InChIKeyFVKWKTKNNYCADQ-VIFPVBQESA-N
XLogP1.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-5-piperidin-2-ylpyridine-3-carboxylic acid
CID 115041390
2-fluoro-3-methyl-5-[(2S)-piperidin-2-yl]pyridine
CID 55276215
3-fluoro-2-hydroxy-5-pyrrolidin-2-ylbenzoic acid
CID 117322920
acetic acid;5-piperidin-2-yl-2-(trifluoromethyl)pyridine
CID 174645141
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
5-pyrrolidin-2-ylpyridine-2-carboxylic acid
CID 55296830
2-fluoro-5-pyrrolidin-2-ylbenzoic acid
CID 77131521
methyl 3-fluoro-2-hydroxy-5-piperidin-2-ylbenzoate
CID 117385565
3,5-difluoro-2-[(2R)-piperidin-2-yl]pyridine
CID 130748594
2-fluoro-5-[(2S)-piperidin-2-yl]phenol
CID 131076447
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
2-piperidin-2-yl-1,3-oxazole-5-carboxylic acid
CID 83879757

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid (CID 131871286) is 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid is O=C(O)c1ncc([C@@H]2CCCCN2)cc1F.
What is the InChIKey of 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid?
The InChIKey is FVKWKTKNNYCADQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-5-7(6-14-10(8)11(15)16)9-3-1-2-4-13-9/h5-6,9,13H,1-4H2,(H,15,16)/t9-/m0/s1.
What are the key properties of 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid?
3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2S)-piperidin-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 131871286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).