3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine

C9H10F2N2 — CID 126623835

IUPAC3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine
SMILESFc1cncc([C@@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C9H10F2N2/c10-7-1-6(3-12-4-7)9-2-8(11)5-13-9/h1,3-4,8-9,13H,2,5H2/t8-,9-/m0/s1
InChIKeyKCKAIFFKJSPMKW-IUCAKERBSA-N
MW184.19 g/mol
LogP1.59
Rot. Bonds1

About 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine

3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine (PubChem CID 126623835) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine
PubChem CID126623835
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine
SMILESFc1cncc([C@@H]2C[C@H](F)CN2)c1
InChIInChI=1S/C9H10F2N2/c10-7-1-6(3-12-4-7)9-2-8(11)5-13-9/h1,3-4,8-9,13H,2,5H2/t8-,9-/m0/s1
InChIKeyKCKAIFFKJSPMKW-IUCAKERBSA-N
XLogP1.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-[(2R,5S)-5-methylpiperidin-2-yl]pyridine
CID 169114355
(2S)-2-(5-fluoro-3-pyridinyl)piperazine
CID 55265229
(2R,4S)-2-(3-chloro-5-fluorophenyl)-4-fluoropyrrolidine
CID 126652081
(2R,4S)-4-fluoro-2-(3-fluoro-5-methylsulfanylphenyl)pyrrolidine;hydrochloride
CID 146303218
5-chloro-6-fluoropyrazolo[1,5-a]pyrimidine-3-carbonitrile;6-fluoro-5-[(2R,4S)-4-fluoro-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile;3-fluoro-5-[(2R,4S)-4-fluoropyrrolidin-2-yl]pyridine
CID 161091315
4-fluoro-2-[(2R,4S)-4-fluoropyrrolidin-2-yl]phenol;hydrobromide
CID 153334918
2-(4-bromophenyl)-4-fluoropyrrolidine
CID 84728357
2-(3-bromophenyl)-4-fluoropyrrolidine
CID 84728358
4-fluoro-2-(2-fluorophenyl)pyrrolidine
CID 83854073
4-fluoro-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 115031722
3-(2,2-dibromocyclopropyl)-5-fluoropyridine
CID 126979804
3-[(2S)-aziridin-2-yl]-5-methoxypyridine
CID 55263273

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine?
The IUPAC name of 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine (CID 126623835) is 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine is Fc1cncc([C@@H]2C[C@H](F)CN2)c1.
What is the InChIKey of 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine?
The InChIKey is KCKAIFFKJSPMKW-IUCAKERBSA-N. The full InChI is InChI=1S/C9H10F2N2/c10-7-1-6(3-12-4-7)9-2-8(11)5-13-9/h1,3-4,8-9,13H,2,5H2/t8-,9-/m0/s1.
What are the key properties of 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine?
3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine has a molecular weight of 184.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2S,4S)-4-fluoropyrrolidin-2-yl]pyridine is sourced from PubChem (CID 126623835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).