3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C15H16Br2ClNS — CID 20546728

IUPAC3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1sc2c(c1Br)C(c1ccc(Br)cc1)CN(C)C2.Cl
InChIInChI=1S/C15H15Br2NS.ClH/c1-9-15(17)14-12(7-18(2)8-13(14)19-9)10-3-5-11(16)6-4-10;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeySNMYASXJQXIUSY-UHFFFAOYSA-N
MW437.63 g/mol
LogP5.58
Rot. Bonds1

About 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 20546728) has the molecular formula C15H16Br2ClNS and a molecular weight of 437.63 g/mol. Its IUPAC name is 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID20546728
Molecular FormulaC15H16Br2ClNS
Molecular Weight437.63 g/mol
Exact Mass434.91
IUPAC Name3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCc1sc2c(c1Br)C(c1ccc(Br)cc1)CN(C)C2.Cl
InChIInChI=1S/C15H15Br2NS.ClH/c1-9-15(17)14-12(7-18(2)8-13(14)19-9)10-3-5-11(16)6-4-10;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeySNMYASXJQXIUSY-UHFFFAOYSA-N
XLogP5.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.63
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 20546728) is 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is Cc1sc2c(c1Br)C(c1ccc(Br)cc1)CN(C)C2.Cl.
What is the InChIKey of 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is SNMYASXJQXIUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NS.ClH/c1-9-15(17)14-12(7-18(2)8-13(14)19-9)10-3-5-11(16)6-4-10;/h3-6,12H,7-8H2,1-2H3;1H.
What are the key properties of 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 437.63 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(4-bromophenyl)-2,6-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 20546728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).