3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine

C14H17ClF3N3 — CID 62274622

IUPAC3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2
InChIKeyCUCSWBQJGYRLPC-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.47
Rot. Bonds2

About 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 62274622) has the molecular formula C14H17ClF3N3 and a molecular weight of 319.76 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID62274622
Molecular FormulaC14H17ClF3N3
Molecular Weight319.76 g/mol
Exact Mass319.11
IUPAC Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1
InChIInChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2
InChIKeyCUCSWBQJGYRLPC-UHFFFAOYSA-N
XLogP3.47
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683422
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 55053823
(3aS,6aS)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599203
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110208974
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]acetic acid
CID 61370313
3-chloro-2-[2-(2-chloroethyl)piperidin-1-yl]-5-(trifluoromethyl)pyridine
CID 63392201
N-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62592867
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 134032254
3-chloro-2-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 102785855
(3aR,6aR)-4-[5-(trifluoromethyl)pyrimidin-2-yl]-2,3,3a,5,6,6a-hexahydro-1H-pyrrolo[3,2-b]pyrrole
CID 171099993
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,5-diazabicyclo[2.2.1]heptane
CID 166485300
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine (CID 62274622) is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1cnc(N2CCCC2C2CCCN2)c(Cl)c1.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is CUCSWBQJGYRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3/c15-10-7-9(14(16,17)18)8-20-13(10)21-6-2-4-12(21)11-3-1-5-19-11/h7-8,11-12,19H,1-6H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine?
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 319.76 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 62274622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).