3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine

C11H15FN2 — CID 11819953

IUPAC3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1C[C@H](CF)C[C@H]1c1cccnc1
InChIInChI=1S/C11H15FN2/c1-14-8-9(6-12)5-11(14)10-3-2-4-13-7-10/h2-4,7,9,11H,5-6,8H2,1H3/t9-,11-/m0/s1
InChIKeyWLJBRUSYZNICNA-ONGXEEELSA-N
MW194.25 g/mol
LogP2.04
Rot. Bonds2

About 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine

3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine (PubChem CID 11819953) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
PubChem CID11819953
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine
SMILESCN1C[C@H](CF)C[C@H]1c1cccnc1
InChIInChI=1S/C11H15FN2/c1-14-8-9(6-12)5-11(14)10-3-2-4-13-7-10/h2-4,7,9,11H,5-6,8H2,1H3/t9-,11-/m0/s1
InChIKeyWLJBRUSYZNICNA-ONGXEEELSA-N
XLogP2.04
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
CID 10420532
3-[(2S,4R)-1-methyl-4-(trifluoromethyl)piperidin-2-yl]pyridine
CID 145285268
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
CID 159245541
CID 159245541
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
3-(1-methylpyrrolidin-2-yl)pyridine;zinc
CID 67468212
3-[5-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine;oxalic acid
CID 19105223
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
zinc;3-(1-methylpyrrolidin-2-yl)pyridine;oxygen(2-)
CID 157051312
3-[(2S)-4-(fluoromethyl)-1,3-dimethylpyrrolidin-2-yl]pyridine;oxalic acid
CID 67821205

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine?
The IUPAC name of 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine (CID 11819953) is 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine is CN1C[C@H](CF)C[C@H]1c1cccnc1.
What is the InChIKey of 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine?
The InChIKey is WLJBRUSYZNICNA-ONGXEEELSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14-8-9(6-12)5-11(14)10-3-2-4-13-7-10/h2-4,7,9,11H,5-6,8H2,1H3/t9-,11-/m0/s1.
What are the key properties of 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine?
3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine has a molecular weight of 194.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,4R)-4-(fluoromethyl)-1-methylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 11819953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).