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

C14H16BrNO — CID 66453095

IUPAC2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
SMILESCc1oc(C)c(C(Br)Cc2ccccn2)c1C
InChIInChI=1S/C14H16BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,13H,8H2,1-3H3
InChIKeyNQXVFRFZJRADHH-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.28
Rot. Bonds3

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

2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine (PubChem CID 66453095) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
PubChem CID66453095
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine
SMILESCc1oc(C)c(C(Br)Cc2ccccn2)c1C
InChIInChI=1S/C14H16BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,13H,8H2,1-3H3
InChIKeyNQXVFRFZJRADHH-UHFFFAOYSA-N
XLogP4.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.28
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
3-[1-bromo-2-(2-chlorophenyl)ethyl]-2,4,5-trimethylfuran
CID 65152060
2-[2-(1-benzofuran-2-yl)-2-bromoethyl]pyridine
CID 66455045
2-[2-bromo-2-(4-methylthiophen-3-yl)ethyl]pyridine
CID 79819392
2-[2-bromo-2-(4-tert-butylphenyl)ethyl]pyridine
CID 66455038
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
2-[2-bromo-2-(5-bromo-4-methylthiophen-2-yl)ethyl]pyridine
CID 79996962
3-[1-bromo-2-[4-(trifluoromethyl)phenyl]ethyl]-2,4,5-trimethylfuran
CID 65152402
2-[2-bromo-2-(3,5-dimethoxyphenyl)ethyl]pyridine
CID 66453744
2-pyridin-2-yl-1-(2,4,5-trimethylfuran-3-yl)ethanone
CID 65152808
1-(2,5-dimethylfuran-3-yl)-2-pyridin-2-ylethanol
CID 66461092
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine?
The IUPAC name of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine (CID 66453095) is 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine is Cc1oc(C)c(C(Br)Cc2ccccn2)c1C.
What is the InChIKey of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine?
The InChIKey is NQXVFRFZJRADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c1-9-10(2)17-11(3)14(9)13(15)8-12-6-4-5-7-16-12/h4-7,13H,8H2,1-3H3.
What are the key properties of 2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine?
2-[2-bromo-2-(2,4,5-trimethylfuran-3-yl)ethyl]pyridine has a molecular weight of 294.19 g/mol, XLogP of 4.28, 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-trimethylfuran-3-yl)ethyl]pyridine is sourced from PubChem (CID 66453095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).