2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine

C14H17F4N3 — CID 133338783

IUPAC2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine
SMILESFc1nc(F)c(F)c(N2CCCC(N3CCCC3)C2)c1F
InChIInChI=1S/C14H17F4N3/c15-10-12(11(16)14(18)19-13(10)17)21-7-3-4-9(8-21)20-5-1-2-6-20/h9H,1-8H2
InChIKeyQFRQBFSMFRGVRR-UHFFFAOYSA-N
MW303.30 g/mol
LogP2.70
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine

2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine (PubChem CID 133338783) has the molecular formula C14H17F4N3 and a molecular weight of 303.30 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine
PubChem CID133338783
Molecular FormulaC14H17F4N3
Molecular Weight303.30 g/mol
Exact Mass303.14
IUPAC Name2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine
SMILESFc1nc(F)c(F)c(N2CCCC(N3CCCC3)C2)c1F
InChIInChI=1S/C14H17F4N3/c15-10-12(11(16)14(18)19-13(10)17)21-7-3-4-9(8-21)20-5-1-2-6-20/h9H,1-8H2
InChIKeyQFRQBFSMFRGVRR-UHFFFAOYSA-N
XLogP2.70
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine
CID 79905317
N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
CID 133371214
2-(2,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929599
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-3,5-difluorobenzonitrile
CID 95622926
4-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3,5-difluoroaniline
CID 68696444
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-fluoropyrimidin-2-amine
CID 80831677
3,4-difluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168405
1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol
CID 130964229
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
2-(2-bromo-4,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929189
2-[3-(azepan-1-yl)piperidin-1-yl]quinoline
CID 133454492

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine (CID 133338783) is 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine is Fc1nc(F)c(F)c(N2CCCC(N3CCCC3)C2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
The InChIKey is QFRQBFSMFRGVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3/c15-10-12(11(16)14(18)19-13(10)17)21-7-3-4-9(8-21)20-5-1-2-6-20/h9H,1-8H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine?
2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine has a molecular weight of 303.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpiperidin-1-yl)pyridine is sourced from PubChem (CID 133338783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).