2-bromo-5,6-dihydrothieno[2,3-c]pyridine

C7H6BrNS — CID 141342848

IUPAC2-bromo-5,6-dihydrothieno[2,3-c]pyridine
SMILESBrc1cc2c(s1)=CNCC=2
InChIInChI=1S/C7H6BrNS/c8-7-3-5-1-2-9-4-6(5)10-7/h1,3-4,9H,2H2
InChIKeyBPSANRACEVRKHC-UHFFFAOYSA-N
MW216.10 g/mol
LogP0.63
Rot. Bonds

About 2-bromo-5,6-dihydrothieno[2,3-c]pyridine

2-bromo-5,6-dihydrothieno[2,3-c]pyridine (PubChem CID 141342848) has the molecular formula C7H6BrNS and a molecular weight of 216.10 g/mol. Its IUPAC name is 2-bromo-5,6-dihydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-bromo-5,6-dihydrothieno[2,3-c]pyridine
PubChem CID141342848
Molecular FormulaC7H6BrNS
Molecular Weight216.10 g/mol
Exact Mass214.94
IUPAC Name2-bromo-5,6-dihydrothieno[2,3-c]pyridine
SMILESBrc1cc2c(s1)=CNCC=2
InChIInChI=1S/C7H6BrNS/c8-7-3-5-1-2-9-4-6(5)10-7/h1,3-4,9H,2H2
InChIKeyBPSANRACEVRKHC-UHFFFAOYSA-N
XLogP0.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.10
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydrothieno[2,3-c]pyridine?
The IUPAC name of 2-bromo-5,6-dihydrothieno[2,3-c]pyridine (CID 141342848) is 2-bromo-5,6-dihydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-bromo-5,6-dihydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-bromo-5,6-dihydrothieno[2,3-c]pyridine is Brc1cc2c(s1)=CNCC=2.
What is the InChIKey of 2-bromo-5,6-dihydrothieno[2,3-c]pyridine?
The InChIKey is BPSANRACEVRKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNS/c8-7-3-5-1-2-9-4-6(5)10-7/h1,3-4,9H,2H2.
What are the key properties of 2-bromo-5,6-dihydrothieno[2,3-c]pyridine?
2-bromo-5,6-dihydrothieno[2,3-c]pyridine has a molecular weight of 216.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5,6-dihydrothieno[2,3-c]pyridine is sourced from PubChem (CID 141342848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).