3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine

C13H17BrF3N3 — CID 106797220

IUPAC3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-2-4-10(20)3-1-5-18/h7-8,10H,1-6,18H2
InChIKeyQYTIFLQTXVGFFG-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.57
Rot. Bonds4

About 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine

3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine (PubChem CID 106797220) has the molecular formula C13H17BrF3N3 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
PubChem CID106797220
Molecular FormulaC13H17BrF3N3
Molecular Weight352.20 g/mol
Exact Mass351.06
IUPAC Name3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine
SMILESNCCCC1CCCN1c1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C13H17BrF3N3/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-2-4-10(20)3-1-5-18/h7-8,10H,1-6,18H2
InChIKeyQYTIFLQTXVGFFG-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine?
The IUPAC name of 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine (CID 106797220) is 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine.
What is the SMILES notation for 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine?
The canonical SMILES for 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine is NCCCC1CCCN1c1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine?
The InChIKey is QYTIFLQTXVGFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3/c14-9-7-11(13(15,16)17)12(19-8-9)20-6-2-4-10(20)3-1-5-18/h7-8,10H,1-6,18H2.
What are the key properties of 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine?
3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine has a molecular weight of 352.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]propan-1-amine is sourced from PubChem (CID 106797220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).