2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine

C12H16BrNO — CID 143195164

IUPAC2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine
SMILESCC(c1ccccn1)C1CCC(CBr)O1
InChIInChI=1S/C12H16BrNO/c1-9(11-4-2-3-7-14-11)12-6-5-10(8-13)15-12/h2-4,7,9-10,12H,5-6,8H2,1H3
InChIKeyQHSRDJLUMTWDLT-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.13
Rot. Bonds3

About 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine

2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine (PubChem CID 143195164) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine
PubChem CID143195164
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine
SMILESCC(c1ccccn1)C1CCC(CBr)O1
InChIInChI=1S/C12H16BrNO/c1-9(11-4-2-3-7-14-11)12-6-5-10(8-13)15-12/h2-4,7,9-10,12H,5-6,8H2,1H3
InChIKeyQHSRDJLUMTWDLT-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.13
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-[1-(oxan-4-yl)ethyl]pyridine
CID 171432124
2-[(1S)-1-cyclohexylethyl]pyridine
CID 130409266
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[3-bromo-4-(oxolan-2-yl)butan-2-yl]pyridine
CID 66453344
1-(oxolan-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 66459307
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[(1R)-1-[(1S)-cyclohex-2-en-1-yl]ethyl]pyridine
CID 101487493
2-[1-bromo-1-(oxan-3-yl)propan-2-yl]pyridine
CID 66455508
1-(oxan-4-yl)-2-pyridin-2-ylpropan-1-amine
CID 66448560
1-cyclopentyl-2-pyridin-2-ylpropan-1-amine
CID 66448564
2-[1-(cyclopropylmethoxy)ethyl]pyridine
CID 21278985

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine?
The IUPAC name of 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine (CID 143195164) is 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine.
What is the SMILES notation for 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine?
The canonical SMILES for 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine is CC(c1ccccn1)C1CCC(CBr)O1.
What is the InChIKey of 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine?
The InChIKey is QHSRDJLUMTWDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(11-4-2-3-7-14-11)12-6-5-10(8-13)15-12/h2-4,7,9-10,12H,5-6,8H2,1H3.
What are the key properties of 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine?
2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine has a molecular weight of 270.17 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(bromomethyl)oxolan-2-yl]ethyl]pyridine is sourced from PubChem (CID 143195164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).