4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride

C14H15BrClNS — CID 20546729

IUPAC4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CNCC2c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H14BrNS.ClH/c1-9-6-12-13(7-16-8-14(12)17-9)10-2-4-11(15)5-3-10;/h2-6,13,16H,7-8H2,1H3;1H
InChIKeyLWQHPZRKLUMVQU-UHFFFAOYSA-N
MW344.71 g/mol
LogP4.48
Rot. Bonds1

About 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride

4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (PubChem CID 20546729) has the molecular formula C14H15BrClNS and a molecular weight of 344.71 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
PubChem CID20546729
Molecular FormulaC14H15BrClNS
Molecular Weight344.71 g/mol
Exact Mass342.98
IUPAC Name4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)CNCC2c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H14BrNS.ClH/c1-9-6-12-13(7-16-8-14(12)17-9)10-2-4-11(15)5-3-10;/h2-6,13,16H,7-8H2,1H3;1H
InChIKeyLWQHPZRKLUMVQU-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.71
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (CID 20546729) is 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is Cc1cc2c(s1)CNCC2c1ccc(Br)cc1.Cl.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The InChIKey is LWQHPZRKLUMVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS.ClH/c1-9-6-12-13(7-16-8-14(12)17-9)10-2-4-11(15)5-3-10;/h2-6,13,16H,7-8H2,1H3;1H.
What are the key properties of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride has a molecular weight of 344.71 g/mol, XLogP of 4.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 20546729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).