3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine

C12H16FNO — CID 122697618

IUPAC3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine
SMILESC[C@H](c1ncccc1F)C1CCOCC1
InChIInChI=1S/C12H16FNO/c1-9(10-4-7-15-8-5-10)12-11(13)3-2-6-14-12/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyKXRCHLGCUBVOET-VIFPVBQESA-N
MW209.26 g/mol
LogP2.75
Rot. Bonds2

About 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine

3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine (PubChem CID 122697618) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine
PubChem CID122697618
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine
SMILESC[C@H](c1ncccc1F)C1CCOCC1
InChIInChI=1S/C12H16FNO/c1-9(10-4-7-15-8-5-10)12-11(13)3-2-6-14-12/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-/m0/s1
InChIKeyKXRCHLGCUBVOET-VIFPVBQESA-N
XLogP2.75
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine?
The IUPAC name of 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine (CID 122697618) is 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine?
The canonical SMILES for 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine is C[C@H](c1ncccc1F)C1CCOCC1.
What is the InChIKey of 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine?
The InChIKey is KXRCHLGCUBVOET-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(10-4-7-15-8-5-10)12-11(13)3-2-6-14-12/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine?
3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine has a molecular weight of 209.26 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(1S)-1-(oxan-4-yl)ethyl]pyridine is sourced from PubChem (CID 122697618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).