4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine

C15H11BrF4N2 — CID 133371579

IUPAC4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(N2CCCC2c2cccc(Br)c2)c1F
InChIInChI=1S/C15H11BrF4N2/c16-9-4-1-3-8(7-9)10-5-2-6-22(10)13-11(17)14(19)21-15(20)12(13)18/h1,3-4,7,10H,2,5-6H2
InChIKeyIVDPEMYQGGUQRZ-UHFFFAOYSA-N
MW375.16 g/mol
LogP4.74
Rot. Bonds2

About 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine

4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine (PubChem CID 133371579) has the molecular formula C15H11BrF4N2 and a molecular weight of 375.16 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
PubChem CID133371579
Molecular FormulaC15H11BrF4N2
Molecular Weight375.16 g/mol
Exact Mass374.00
IUPAC Name4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
SMILESFc1nc(F)c(F)c(N2CCCC2c2cccc(Br)c2)c1F
InChIInChI=1S/C15H11BrF4N2/c16-9-4-1-3-8(7-9)10-5-2-6-22(10)13-11(17)14(19)21-15(20)12(13)18/h1,3-4,7,10H,2,5-6H2
InChIKeyIVDPEMYQGGUQRZ-UHFFFAOYSA-N
XLogP4.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-bromophenyl)-1-(2,3,4,5,6-pentafluorophenyl)aziridine
CID 164684940
2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
CID 84611001
2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
CID 84611002
8-[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 124730441
2-[(2R)-2-(3-bromophenyl)pyrrolidin-1-yl]-4-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxylic acid
CID 129455860
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-4-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxylic acid
CID 110161728
(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 101479998
2-[2-(3-bromophenyl)pyrrolidin-1-yl]-4-[(3-chloro-4-fluorophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 110165893
2-[[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94424083
[2-(3-bromophenyl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63007252
[2-(3-bromophenyl)pyrrolidin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 55889204
2-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrimidin-5-amine
CID 146380893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine (CID 133371579) is 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine is Fc1nc(F)c(F)c(N2CCCC2c2cccc(Br)c2)c1F.
What is the InChIKey of 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is IVDPEMYQGGUQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF4N2/c16-9-4-1-3-8(7-9)10-5-2-6-22(10)13-11(17)14(19)21-15(20)12(13)18/h1,3-4,7,10H,2,5-6H2.
What are the key properties of 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine?
4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 375.16 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 133371579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).