5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine

C10H9Br2F3N2 — CID 106797048

IUPAC5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC(Br)C1
InChIInChI=1S/C10H9Br2F3N2/c11-6-1-2-17(5-6)9-8(10(13,14)15)3-7(12)4-16-9/h3-4,6H,1-2,5H2
InChIKeyXZGYHOZOAHNDIM-UHFFFAOYSA-N
MW374.00 g/mol
LogP3.84
Rot. Bonds1

About 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine

5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (PubChem CID 106797048) has the molecular formula C10H9Br2F3N2 and a molecular weight of 374.00 g/mol. Its IUPAC name is 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
PubChem CID106797048
Molecular FormulaC10H9Br2F3N2
Molecular Weight374.00 g/mol
Exact Mass371.91
IUPAC Name5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(Br)cnc1N1CCC(Br)C1
InChIInChI=1S/C10H9Br2F3N2/c11-6-1-2-17(5-6)9-8(10(13,14)15)3-7(12)4-16-9/h3-4,6H,1-2,5H2
InChIKeyXZGYHOZOAHNDIM-UHFFFAOYSA-N
XLogP3.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.00
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
CID 106796608
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165432807
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-hydroxymorpholine-2-carboximidamide
CID 106795885
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
2-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-cyclopentylacetamide
CID 171994103
3-bromo-2-(3-bromopyrrolidin-1-yl)-5-methylpyridine
CID 105368742
tert-butyl 4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 73016609
4-[4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 155981514

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The IUPAC name of 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine (CID 106797048) is 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine is FC(F)(F)c1cc(Br)cnc1N1CCC(Br)C1.
What is the InChIKey of 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
The InChIKey is XZGYHOZOAHNDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F3N2/c11-6-1-2-17(5-6)9-8(10(13,14)15)3-7(12)4-16-9/h3-4,6H,1-2,5H2.
What are the key properties of 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine?
5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine has a molecular weight of 374.00 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 106797048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).