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

C13H12BrNS — CID 83747727

IUPAC4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESBrc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C13H12BrNS/c14-10-3-1-9(2-4-10)13-11-6-8-16-12(11)5-7-15-13/h1-4,6,8,13,15H,5,7H2
InChIKeyQHMLCOYOOMFHHT-UHFFFAOYSA-N
MW294.22 g/mol
LogP3.75
Rot. Bonds1

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

4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (PubChem CID 83747727) has the molecular formula C13H12BrNS and a molecular weight of 294.22 g/mol. Its IUPAC name is 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
PubChem CID83747727
Molecular FormulaC13H12BrNS
Molecular Weight294.22 g/mol
Exact Mass292.99
IUPAC Name4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
SMILESBrc1ccc(C2NCCc3sccc32)cc1
InChIInChI=1S/C13H12BrNS/c14-10-3-1-9(2-4-10)13-11-6-8-16-12(11)5-7-15-13/h1-4,6,8,13,15H,5,7H2
InChIKeyQHMLCOYOOMFHHT-UHFFFAOYSA-N
XLogP3.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.22
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485298
2-phenyl-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}ethan-1-amine
CID 20115426
6-(4-Bromophenyl)-4-(thiophen-2-yl)-1,6-dihydropyrimidine-2-thiol
CID 2885579
N-(4-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834255
2,6-Dimethyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546707
2-Methyl-4-(p-bromophenyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine hydrochloride
CID 20546729
7-phenyl-4H,5H,6H,7H-thieno[2,3-c]pyridine
CID 14548167
1-{[5-(4-Bromophenyl)thiophen-2-yl]methyl}piperazine
CID 42951112
4-(4-fluorophenyl)-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 42773975
N-(3-bromobenzyl)-N-(2-thienylmethyl)amine
CID 834209
2-Bromo-6-methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 44447170
4-(4-bromophenyl)-6-methyl-2-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54587606

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The IUPAC name of 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine (CID 83747727) is 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is Brc1ccc(C2NCCc3sccc32)cc1.
What is the InChIKey of 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
The InChIKey is QHMLCOYOOMFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNS/c14-10-3-1-9(2-4-10)13-11-6-8-16-12(11)5-7-15-13/h1-4,6,8,13,15H,5,7H2.
What are the key properties of 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine?
4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine has a molecular weight of 294.22 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine is sourced from PubChem (CID 83747727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).