2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]

C10H12BrNS — CID 84709451

IUPAC2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]
SMILESBrc1cc2c(s1)C1(CCC1)CNC2
InChIInChI=1S/C10H12BrNS/c11-8-4-7-5-12-6-10(2-1-3-10)9(7)13-8/h4,12H,1-3,5-6H2
InChIKeyUUJSTRRWHHMSDR-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.04
Rot. Bonds

About 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]

2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] (PubChem CID 84709451) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane].

Molecular Properties

Compound Name2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]
PubChem CID84709451
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]
SMILESBrc1cc2c(s1)C1(CCC1)CNC2
InChIInChI=1S/C10H12BrNS/c11-8-4-7-5-12-6-10(2-1-3-10)9(7)13-8/h4,12H,1-3,5-6H2
InChIKeyUUJSTRRWHHMSDR-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]?
The IUPAC name of 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] (CID 84709451) is 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane].
What is the SMILES notation for 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]?
The canonical SMILES for 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] is Brc1cc2c(s1)C1(CCC1)CNC2.
What is the InChIKey of 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]?
The InChIKey is UUJSTRRWHHMSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c11-8-4-7-5-12-6-10(2-1-3-10)9(7)13-8/h4,12H,1-3,5-6H2.
What are the key properties of 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane]?
2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] has a molecular weight of 258.18 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromospiro[5,6-dihydro-4H-thieno[3,2-c]pyridine-7,1'-cyclobutane] is sourced from PubChem (CID 84709451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).