3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

C10H13FN2 — CID 21127375

IUPAC3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
InChIKeyWEACEDDYURLEPK-JTQLQIEISA-N
MW180.23 g/mol
LogP1.99
Rot. Bonds1

About 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine

3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 21127375) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID21127375
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1CCC[C@H]1c1cncc(F)c1
InChIInChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1
InChIKeyWEACEDDYURLEPK-JTQLQIEISA-N
XLogP1.99
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Nicotine
CID 89594
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
3-(Pyrrolidin-2-yl)pyridine
CID 412
Myosmine
CID 442649
N-Nitrosonornicotine
CID 12613538
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
3-Butylpyridine
CID 10874
3-(1-Nitrosopyrrolidin-2-yl)pyridine
CID 27919
3-Pentylpyridine
CID 238307
(R)-Nicotine
CID 157672

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine (CID 21127375) is 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is CN1CCC[C@H]1c1cncc(F)c1.
What is the InChIKey of 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is WEACEDDYURLEPK-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13FN2/c1-13-4-2-3-10(13)8-5-9(11)7-12-6-8/h5-7,10H,2-4H2,1H3/t10-/m0/s1.
What are the key properties of 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine?
3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 180.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 21127375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).