2-bromo-4-chlorothieno[2,3-b]pyridine

C7H3BrClNS — CID 54328394

IUPAC2-bromo-4-chlorothieno[2,3-b]pyridine
SMILESClc1ccnc2sc(Br)cc12
InChIInChI=1S/C7H3BrClNS/c8-6-3-4-5(9)1-2-10-7(4)11-6/h1-3H
InChIKeySWOSNJUCGRKUBX-UHFFFAOYSA-N
MW248.53 g/mol
LogP3.71
Rot. Bonds

About 2-bromo-4-chlorothieno[2,3-b]pyridine

2-bromo-4-chlorothieno[2,3-b]pyridine (PubChem CID 54328394) has the molecular formula C7H3BrClNS and a molecular weight of 248.53 g/mol. Its IUPAC name is 2-bromo-4-chlorothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-bromo-4-chlorothieno[2,3-b]pyridine
PubChem CID54328394
Molecular FormulaC7H3BrClNS
Molecular Weight248.53 g/mol
Exact Mass246.89
IUPAC Name2-bromo-4-chlorothieno[2,3-b]pyridine
SMILESClc1ccnc2sc(Br)cc12
InChIInChI=1S/C7H3BrClNS/c8-6-3-4-5(9)1-2-10-7(4)11-6/h1-3H
InChIKeySWOSNJUCGRKUBX-UHFFFAOYSA-N
XLogP3.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.53
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chlorothieno[2,3-b]pyridine?
The IUPAC name of 2-bromo-4-chlorothieno[2,3-b]pyridine (CID 54328394) is 2-bromo-4-chlorothieno[2,3-b]pyridine.
What is the SMILES notation for 2-bromo-4-chlorothieno[2,3-b]pyridine?
The canonical SMILES for 2-bromo-4-chlorothieno[2,3-b]pyridine is Clc1ccnc2sc(Br)cc12.
What is the InChIKey of 2-bromo-4-chlorothieno[2,3-b]pyridine?
The InChIKey is SWOSNJUCGRKUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClNS/c8-6-3-4-5(9)1-2-10-7(4)11-6/h1-3H.
What are the key properties of 2-bromo-4-chlorothieno[2,3-b]pyridine?
2-bromo-4-chlorothieno[2,3-b]pyridine has a molecular weight of 248.53 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chlorothieno[2,3-b]pyridine is sourced from PubChem (CID 54328394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).