7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine

C7H8BrNS — CID 82393363

IUPAC7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine
SMILESBrc1scc2c1NCCC2
InChIInChI=1S/C7H8BrNS/c8-7-6-5(4-10-7)2-1-3-9-6/h4,9H,1-3H2
InChIKeyVWYCRZKLHMGLRP-UHFFFAOYSA-N
MW218.12 g/mol
LogP2.87
Rot. Bonds

About 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine

7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine (PubChem CID 82393363) has the molecular formula C7H8BrNS and a molecular weight of 218.12 g/mol. Its IUPAC name is 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine.

Molecular Properties

Compound Name7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine
PubChem CID82393363
Molecular FormulaC7H8BrNS
Molecular Weight218.12 g/mol
Exact Mass216.96
IUPAC Name7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine
SMILESBrc1scc2c1NCCC2
InChIInChI=1S/C7H8BrNS/c8-7-6-5(4-10-7)2-1-3-9-6/h4,9H,1-3H2
InChIKeyVWYCRZKLHMGLRP-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine
CID 82390487
7,8-dibromo-1,2,3,4-tetrahydroquinoline
CID 70471236
6-bromo-8-fluoro-1,2,3,4-tetrahydroquinoline
CID 16791217
1,2,3,4-tetrahydroquinoline-8-thiol
CID 71358239
8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740
4,5,6,7-tetrahydrothieno[2,3-b]pyridine;hydrochloride
CID 73012682
6-bromo-8-propyl-1,2,3,4-tetrahydroquinoline
CID 142307156
5,6,7,8-tetrahydrothieno[3,4-c]azepin-4-one
CID 82413649
1,2,3,4-tetrahydroquinolin-8-amine;hydrochloride
CID 71711078
8-bromo-5-methyl-1,2,3,4-tetrahydroquinoline
CID 82008492
8-methyl-1,2,3,4-tetrahydro-1,6-naphthyridine
CID 174192369
8-thia-1,11-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-9,15-diene
CID 78371493

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine?
The IUPAC name of 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine (CID 82393363) is 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine.
What is the SMILES notation for 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine?
The canonical SMILES for 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine is Brc1scc2c1NCCC2.
What is the InChIKey of 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine?
The InChIKey is VWYCRZKLHMGLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNS/c8-7-6-5(4-10-7)2-1-3-9-6/h4,9H,1-3H2.
What are the key properties of 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine?
7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine has a molecular weight of 218.12 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1,2,3,4-tetrahydrothieno[3,4-b]pyridine is sourced from PubChem (CID 82393363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).