2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine

C11H12BrF3N2 — CID 80672529

IUPAC2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCCC(Br)C2)n1
InChIInChI=1S/C11H12BrF3N2/c12-8-3-2-6-17(7-8)10-5-1-4-9(16-10)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeySFYAAVJTDYJXNZ-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.46
Rot. Bonds1

About 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine

2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine (PubChem CID 80672529) has the molecular formula C11H12BrF3N2 and a molecular weight of 309.13 g/mol. Its IUPAC name is 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
PubChem CID80672529
Molecular FormulaC11H12BrF3N2
Molecular Weight309.13 g/mol
Exact Mass308.01
IUPAC Name2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(N2CCCC(Br)C2)n1
InChIInChI=1S/C11H12BrF3N2/c12-8-3-2-6-17(7-8)10-5-1-4-9(16-10)11(13,14)15/h1,4-5,8H,2-3,6-7H2
InChIKeySFYAAVJTDYJXNZ-UHFFFAOYSA-N
XLogP3.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

methyl 1-[6-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 115538400
3-ethylsulfanyl-1-[6-(trifluoromethyl)-2-pyridinyl]azepane
CID 133311270
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
methyl 2-methyl-2-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]propanoate
CID 133444594
(3R,4R)-1-[[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4-diol
CID 166834244
3-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 62478925
morpholin-4-yl-[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 155975820
3-piperidin-1-yl-6-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
CID 166601439
2-[2-(bromomethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine
CID 80668053
1-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112627873
5-methyl-3-[[1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 138040945
N-[(3S)-1-[6-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]adamantane-1-carboxamide
CID 147857261

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine (CID 80672529) is 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(N2CCCC(Br)C2)n1.
What is the InChIKey of 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine?
The InChIKey is SFYAAVJTDYJXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N2/c12-8-3-2-6-17(7-8)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-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine?
2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine has a molecular weight of 309.13 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopiperidin-1-yl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 80672529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).