2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine

C14H20BrNO — CID 66452880

IUPAC2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine
SMILESCC1OC(C)C(C(Br)Cc2ccccn2)C1C
InChIInChI=1S/C14H20BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,9-11,13-14H,8H2,1-3H3
InChIKeyMPZJBWFHHVXMKY-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.45
Rot. Bonds3

About 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine

2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine (PubChem CID 66452880) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine
PubChem CID66452880
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine
SMILESCC1OC(C)C(C(Br)Cc2ccccn2)C1C
InChIInChI=1S/C14H20BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,9-11,13-14H,8H2,1-3H3
InChIKeyMPZJBWFHHVXMKY-UHFFFAOYSA-N
XLogP3.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.45
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

2-pyridin-2-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 65155794
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethyloxolane
CID 65159334
2-(3-methyl-2-pyridinyl)-1-(2,4,5-trimethyloxolan-3-yl)ethanol
CID 66459908
2-(2-bromodecyl)pyridine
CID 66452883
2-(2-bromo-3-cyclopropylbutyl)pyridine
CID 83152951
2-quinolin-4-yl-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
CID 104997435
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
2-[2-(3-ethyloxiran-2-yl)propyl]pyridine
CID 83930025
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
CID 66453095
2-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
CID 79084149
2-(2-bromo-3-methylsulfonylpropyl)pyridine
CID 66452236
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine (CID 66452880) is 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine is CC1OC(C)C(C(Br)Cc2ccccn2)C1C.
What is the InChIKey of 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine?
The InChIKey is MPZJBWFHHVXMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,9-11,13-14H,8H2,1-3H3.
What are the key properties of 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine?
2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine has a molecular weight of 298.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(2,4,5-trimethyloxolan-3-yl)ethyl]pyridine is sourced from PubChem (CID 66452880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).