2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

C9H12BrNS — CID 84705603

IUPAC2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1Cc2sc(Br)cc2C(C)N1
InChIInChI=1S/C9H12BrNS/c1-5-3-8-7(6(2)11-5)4-9(10)12-8/h4-6,11H,3H2,1-2H3
InChIKeyUQZQOYLXDHOYQN-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.11
Rot. Bonds

About 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine

2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 84705603) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID84705603
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESCC1Cc2sc(Br)cc2C(C)N1
InChIInChI=1S/C9H12BrNS/c1-5-3-8-7(6(2)11-5)4-9(10)12-8/h4-6,11H,3H2,1-2H3
InChIKeyUQZQOYLXDHOYQN-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 84705603) is 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is CC1Cc2sc(Br)cc2C(C)N1.
What is the InChIKey of 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is UQZQOYLXDHOYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c1-5-3-8-7(6(2)11-5)4-9(10)12-8/h4-6,11H,3H2,1-2H3.
What are the key properties of 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 246.17 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-dimethyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 84705603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).