3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile

C11H12FN3 — CID 129349589

IUPAC3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC[C@H](F)C1
InChIInChI=1S/C11H12FN3/c12-10-2-1-5-15(8-10)11-7-14-4-3-9(11)6-13/h3-4,7,10H,1-2,5,8H2/t10-/m0/s1
InChIKeyZQZFRHVIAMWBLD-JTQLQIEISA-N
MW205.24 g/mol
LogP1.89
Rot. Bonds1

About 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile

3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 129349589) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
PubChem CID129349589
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1N1CCC[C@H](F)C1
InChIInChI=1S/C11H12FN3/c12-10-2-1-5-15(8-10)11-7-14-4-3-9(11)6-13/h3-4,7,10H,1-2,5,8H2/t10-/m0/s1
InChIKeyZQZFRHVIAMWBLD-JTQLQIEISA-N
XLogP1.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile (CID 129349589) is 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile is N#Cc1ccncc1N1CCC[C@H](F)C1.
What is the InChIKey of 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is ZQZFRHVIAMWBLD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-2-1-5-15(8-10)11-7-14-4-3-9(11)6-13/h3-4,7,10H,1-2,5,8H2/t10-/m0/s1.
What are the key properties of 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile?
3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 205.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoropiperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 129349589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).