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

C13H15F4N3 — CID 79905317

IUPAC2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine
SMILESFc1nc(F)c(F)c(N2CCC(N3CCCC3)C2)c1F
InChIInChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-6-3-8(7-20)19-4-1-2-5-19/h8H,1-7H2
InChIKeyVKUKAMVMNVVURT-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.31
Rot. Bonds2

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

2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine (PubChem CID 79905317) has the molecular formula C13H15F4N3 and a molecular weight of 289.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine
PubChem CID79905317
Molecular FormulaC13H15F4N3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine
SMILESFc1nc(F)c(F)c(N2CCC(N3CCCC3)C2)c1F
InChIInChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-6-3-8(7-20)19-4-1-2-5-19/h8H,1-7H2
InChIKeyVKUKAMVMNVVURT-UHFFFAOYSA-N
XLogP2.31
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.31
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-ylpiperidin-1-yl)pyridine
CID 133338783
3,4-difluoro-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)aniline
CID 63168405
2,3,5,6-tetrafluoro-4-(3-methoxypyrrolidin-1-yl)pyridine
CID 103536626
2,3,5,6-tetrafluoro-4-(4-methylpiperidin-1-yl)pyridine
CID 23366799
1-[4-(bromomethyl)-2,6-difluorophenyl]-3-pyrrolidin-1-ylpyrrolidine
CID 107083312
3,5-difluoro-4-(3-piperidin-1-ylpyrrolidin-1-yl)benzonitrile
CID 78949602
1-(2,3,5,6-tetrafluoro-4-pyridinyl)azetidin-3-ol
CID 130964229
2-(2,6-difluorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929599
3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66276900
[2,3-difluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 107932932
N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-3-yl]methanesulfonamide
CID 133371214
3-(3-piperidin-1-ylpyrrolidin-1-yl)-1H-1,2,4-triazol-5-amine
CID 66277112

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine (CID 79905317) is 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine is Fc1nc(F)c(F)c(N2CCC(N3CCCC3)C2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine?
The InChIKey is VKUKAMVMNVVURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-6-3-8(7-20)19-4-1-2-5-19/h8H,1-7H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine?
2,3,5,6-tetrafluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyridine has a molecular weight of 289.28 g/mol, XLogP of 2.31, 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-ylpyrrolidin-1-yl)pyridine is sourced from PubChem (CID 79905317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).