2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine

C12H12BrNO — CID 66452265

IUPAC2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccco1
InChIInChI=1S/C12H12BrNO/c1-9(10-5-2-3-7-14-10)12(13)11-6-4-8-15-11/h2-9,12H,1H3
InChIKeyAJYMQNUQIKWRNH-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.91
Rot. Bonds3

About 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine

2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine (PubChem CID 66452265) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
PubChem CID66452265
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
SMILESCC(c1ccccn1)C(Br)c1ccco1
InChIInChI=1S/C12H12BrNO/c1-9(10-5-2-3-7-14-10)12(13)11-6-4-8-15-11/h2-9,12H,1H3
InChIKeyAJYMQNUQIKWRNH-UHFFFAOYSA-N
XLogP3.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.91
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-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
CID 79084316
2-[1-bromo-1-(2,6-difluorophenyl)propan-2-yl]pyridine
CID 66455083
2-[1-bromo-1-(2-chlorophenyl)propan-2-yl]pyridine
CID 66453993
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
2-[1-bromo-1-(2,3-dichlorophenyl)propan-2-yl]pyridine
CID 66454208
2-[1-bromo-1-(2,5-dimethylphenyl)propan-2-yl]pyridine
CID 66454426
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[1-bromo-1-(4,5-dibromothiophen-2-yl)propan-2-yl]pyridine
CID 80538097
2-[1-bromo-1-(2-bromo-6-fluorophenyl)propan-2-yl]pyridine
CID 114561364
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
2-[1-bromo-1-[4-(difluoromethoxy)phenyl]propan-2-yl]pyridine
CID 66454217

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine (CID 66452265) is 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine is CC(c1ccccn1)C(Br)c1ccco1.
What is the InChIKey of 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine?
The InChIKey is AJYMQNUQIKWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c1-9(10-5-2-3-7-14-10)12(13)11-6-4-8-15-11/h2-9,12H,1H3.
What are the key properties of 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine?
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine has a molecular weight of 266.14 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine is sourced from PubChem (CID 66452265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).