3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine

C10H13FN2 — CID 129493270

IUPAC3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
SMILESFC[C@H]1CNC[C@@H]1c1cccnc1
InChIInChI=1S/C10H13FN2/c11-4-9-6-13-7-10(9)8-2-1-3-12-5-8/h1-3,5,9-10,13H,4,6-7H2/t9-,10+/m0/s1
InChIKeyJGNCDSWNPNJIBI-VHSXEESVSA-N
MW180.23 g/mol
LogP1.35
Rot. Bonds2

About 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine

3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine (PubChem CID 129493270) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine.

Molecular Properties

Compound Name3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
PubChem CID129493270
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
SMILESFC[C@H]1CNC[C@@H]1c1cccnc1
InChIInChI=1S/C10H13FN2/c11-4-9-6-13-7-10(9)8-2-1-3-12-5-8/h1-3,5,9-10,13H,4,6-7H2/t9-,10+/m0/s1
InChIKeyJGNCDSWNPNJIBI-VHSXEESVSA-N
XLogP1.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3R,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine
CID 129493269
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
(3S,4S)-3-(4-ethylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129493276
3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
CID 79454588
[(1S,2R)-2-pyridin-3-ylcyclopropyl]methanamine
CID 86319036
3-[(1R,2R)-2-ethylcyclopropyl]pyridine
CID 142709158
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
CID 57485543
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
CID 129492988
2-[[(3S,4R)-4-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-yl-1,3-thiazole
CID 166803869
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine?
The IUPAC name of 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine (CID 129493270) is 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine.
What is the SMILES notation for 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine?
The canonical SMILES for 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine is FC[C@H]1CNC[C@@H]1c1cccnc1.
What is the InChIKey of 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine?
The InChIKey is JGNCDSWNPNJIBI-VHSXEESVSA-N. The full InChI is InChI=1S/C10H13FN2/c11-4-9-6-13-7-10(9)8-2-1-3-12-5-8/h1-3,5,9-10,13H,4,6-7H2/t9-,10+/m0/s1.
What are the key properties of 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine?
3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine has a molecular weight of 180.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S,4R)-4-(fluoromethyl)pyrrolidin-3-yl]pyridine is sourced from PubChem (CID 129493270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).