2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine

C14H16BrNO — CID 79084316

IUPAC2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
SMILESCCc1ccc(C(Br)C(C)c2ccccn2)o1
InChIInChI=1S/C14H16BrNO/c1-3-11-7-8-13(17-11)14(15)10(2)12-6-4-5-9-16-12/h4-10,14H,3H2,1-2H3
InChIKeyYCLNKKIMQRCQIO-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.48
Rot. Bonds4

About 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine

2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine (PubChem CID 79084316) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
PubChem CID79084316
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine
SMILESCCc1ccc(C(Br)C(C)c2ccccn2)o1
InChIInChI=1S/C14H16BrNO/c1-3-11-7-8-13(17-11)14(15)10(2)12-6-4-5-9-16-12/h4-10,14H,3H2,1-2H3
InChIKeyYCLNKKIMQRCQIO-UHFFFAOYSA-N
XLogP4.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.48
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-[2-bromo-2-(5-ethylfuran-2-yl)ethyl]pyridine
CID 79084149
2-[1-bromo-1-(furan-2-yl)propan-2-yl]pyridine
CID 66452265
N-[(5-ethylfuran-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
CID 50983050
2-[1-bromo-1-(2-ethoxyphenyl)propan-2-yl]pyridine
CID 66454421
2-(3-bromo-4-ethylhexan-2-yl)pyridine
CID 66453992
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
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
2-[1-bromo-1-(2-bromo-5-methoxyphenyl)propan-2-yl]pyridine
CID 66452706

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine?
The IUPAC name of 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine (CID 79084316) is 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine.
What is the SMILES notation for 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine?
The canonical SMILES for 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine is CCc1ccc(C(Br)C(C)c2ccccn2)o1.
What is the InChIKey of 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine?
The InChIKey is YCLNKKIMQRCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-3-11-7-8-13(17-11)14(15)10(2)12-6-4-5-9-16-12/h4-10,14H,3H2,1-2H3.
What are the key properties of 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine?
2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine has a molecular weight of 294.19 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-1-(5-ethylfuran-2-yl)propan-2-yl]pyridine is sourced from PubChem (CID 79084316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).