2-bromo-6-(3-chlorothiophen-2-yl)pyridine

C9H5BrClNS — CID 107360930

IUPAC2-bromo-6-(3-chlorothiophen-2-yl)pyridine
SMILESClc1ccsc1-c1cccc(Br)n1
InChIInChI=1S/C9H5BrClNS/c10-8-3-1-2-7(12-8)9-6(11)4-5-13-9/h1-5H
InChIKeyWKUPNJFNPQDGEK-UHFFFAOYSA-N
MW274.57 g/mol
LogP4.23
Rot. Bonds1

About 2-bromo-6-(3-chlorothiophen-2-yl)pyridine

2-bromo-6-(3-chlorothiophen-2-yl)pyridine (PubChem CID 107360930) has the molecular formula C9H5BrClNS and a molecular weight of 274.57 g/mol. Its IUPAC name is 2-bromo-6-(3-chlorothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(3-chlorothiophen-2-yl)pyridine
PubChem CID107360930
Molecular FormulaC9H5BrClNS
Molecular Weight274.57 g/mol
Exact Mass272.90
IUPAC Name2-bromo-6-(3-chlorothiophen-2-yl)pyridine
SMILESClc1ccsc1-c1cccc(Br)n1
InChIInChI=1S/C9H5BrClNS/c10-8-3-1-2-7(12-8)9-6(11)4-5-13-9/h1-5H
InChIKeyWKUPNJFNPQDGEK-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.57
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3-chlorothiophen-2-yl)pyridine?
The IUPAC name of 2-bromo-6-(3-chlorothiophen-2-yl)pyridine (CID 107360930) is 2-bromo-6-(3-chlorothiophen-2-yl)pyridine.
What is the SMILES notation for 2-bromo-6-(3-chlorothiophen-2-yl)pyridine?
The canonical SMILES for 2-bromo-6-(3-chlorothiophen-2-yl)pyridine is Clc1ccsc1-c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-(3-chlorothiophen-2-yl)pyridine?
The InChIKey is WKUPNJFNPQDGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClNS/c10-8-3-1-2-7(12-8)9-6(11)4-5-13-9/h1-5H.
What are the key properties of 2-bromo-6-(3-chlorothiophen-2-yl)pyridine?
2-bromo-6-(3-chlorothiophen-2-yl)pyridine has a molecular weight of 274.57 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3-chlorothiophen-2-yl)pyridine is sourced from PubChem (CID 107360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).