2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine

C11H9BrClNO — CID 130747024

IUPAC2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine
SMILESClC(Cc1ccccn1)c1coc(Br)c1
InChIInChI=1S/C11H9BrClNO/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6H2
InChIKeyJECJNBBONPVOQD-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.96
Rot. Bonds3

About 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine

2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine (PubChem CID 130747024) has the molecular formula C11H9BrClNO and a molecular weight of 286.56 g/mol. Its IUPAC name is 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine.

Molecular Properties

Compound Name2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine
PubChem CID130747024
Molecular FormulaC11H9BrClNO
Molecular Weight286.56 g/mol
Exact Mass284.96
IUPAC Name2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine
SMILESClC(Cc1ccccn1)c1coc(Br)c1
InChIInChI=1S/C11H9BrClNO/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6H2
InChIKeyJECJNBBONPVOQD-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
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-chloro-2-(3-chloro-4-fluorophenyl)ethyl]pyridine
CID 82878772
2-[2-(3-bromothiophen-2-yl)-2-chloroethyl]pyridine
CID 66459778
1-(5-bromothiophen-3-yl)-2-pyridin-2-ylethanamine
CID 105158058
2-[2-chloro-2-(2,4,5-trimethoxyphenyl)ethyl]pyridine
CID 66460381
2-[2-bromo-2-(3-bromo-4-methylphenyl)ethyl]pyridine
CID 81488563
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
2-[2-chloro-2-(2,4-difluoro-5-methylphenyl)ethyl]pyridine
CID 113396606
2-(2-chloro-3,3-dimethylbutyl)pyridine
CID 63203181
2-(2-chloro-3,3,3-trifluoropropyl)pyridine
CID 66461379
2-[2-chloro-2-(3-chloro-2-fluorophenyl)ethyl]pyridine
CID 81262929
2-[2-(5-bromothiophen-3-yl)-2-chloroethyl]-5-methylpyridine
CID 107967285
2-[2-chloro-2-(3-ethylthiophen-2-yl)ethyl]pyridine
CID 79975627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine?
The IUPAC name of 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine (CID 130747024) is 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine.
What is the SMILES notation for 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine?
The canonical SMILES for 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine is ClC(Cc1ccccn1)c1coc(Br)c1.
What is the InChIKey of 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine?
The InChIKey is JECJNBBONPVOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNO/c12-11-5-8(7-15-11)10(13)6-9-3-1-2-4-14-9/h1-5,7,10H,6H2.
What are the key properties of 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine?
2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine has a molecular weight of 286.56 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromofuran-3-yl)-2-chloroethyl]pyridine is sourced from PubChem (CID 130747024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).