2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

C11H12BrF3N2 — CID 80668053

IUPAC2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCCC2CBr)n1
InChIInChI=1S/C11H12BrF3N2/c12-7-8-3-2-6-17(8)10-5-1-4-9(16-10)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeyQGKNFHBBUSPACM-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.46
Rot. Bonds2

About 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine

2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (PubChem CID 80668053) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
PubChem CID80668053
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCCC2CBr)n1
InChIInChI=1S/C11H12BrF3N2/c12-7-8-3-2-6-17(8)10-5-1-4-9(16-10)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeyQGKNFHBBUSPACM-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine (CID 80668053) is 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(N2CCCC2CBr)n1.
What is the InChIKey of 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
The InChIKey is QGKNFHBBUSPACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-7-8-3-2-6-17(8)10-5-1-4-9(16-10)11(13,14)15/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine?
2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine has a molecular weight of 309.13 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 80668053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).