4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine

C11H9BrClNO — CID 106690746

IUPAC4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine
SMILESClc1occc1C(Br)Cc1ccncc1
InChIInChI=1S/C11H9BrClNO/c12-10(9-3-6-15-11(9)13)7-8-1-4-14-5-2-8/h1-6,10H,7H2
InChIKeyOTWLVHJUBQKOEU-UHFFFAOYSA-N
MW286.56 g/mol
LogP4.01
Rot. Bonds3

About 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine

4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine (PubChem CID 106690746) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine.

Molecular Properties

Compound Name4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine
PubChem CID106690746
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine
SMILESClc1occc1C(Br)Cc1ccncc1
InChIInChI=1S/C11H9BrClNO/c12-10(9-3-6-15-11(9)13)7-8-1-4-14-5-2-8/h1-6,10H,7H2
InChIKeyOTWLVHJUBQKOEU-UHFFFAOYSA-N
XLogP4.01
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 54.01
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

1-(2-chlorofuran-3-yl)-N-ethyl-2-pyridin-4-ylethanamine
CID 106688072
4-[2-(1-benzofuran-3-yl)-2-bromoethyl]pyridine
CID 66454194
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
4-[2-bromo-2-(3,5-dichlorophenyl)ethyl]pyridine
CID 66452456
4-[2-bromo-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66454195
4-[2-bromo-2-(4-bromo-2-methylphenyl)ethyl]pyridine
CID 66455489
4-[2-bromo-2-(4-fluorophenyl)ethyl]pyridine
CID 66452680
[1-(2-chlorofuran-3-yl)-2-phenylethyl]hydrazine
CID 106694144
4-[2-bromo-2-(4-ethylphenyl)ethyl]pyridine
CID 66454835
4-(1,3,4-tripyridin-4-ylbutan-2-yl)pyridine
CID 12946959
2-(4-tert-butylphenyl)-1-(2-chlorofuran-3-yl)ethanamine
CID 106691777
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine?
The IUPAC name of 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine (CID 106690746) is 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine.
What is the SMILES notation for 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine?
The canonical SMILES for 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine is Clc1occc1C(Br)Cc1ccncc1.
What is the InChIKey of 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine?
The InChIKey is OTWLVHJUBQKOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-10(9-3-6-15-11(9)13)7-8-1-4-14-5-2-8/h1-6,10H,7H2.
What are the key properties of 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine?
4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine has a molecular weight of 286.56 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2-chlorofuran-3-yl)ethyl]pyridine is sourced from PubChem (CID 106690746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).