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

C13H12BrCl2NS — CID 54586617

IUPAC4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCl.Clc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNS.ClH/c14-9-3-1-8(2-4-9)11-6-16-7-12-10(11)5-13(15)17-12;/h1-5,11,16H,6-7H2;1H
InChIKeyIKKNWZJLUIUWRV-UHFFFAOYSA-N
MW365.12 g/mol
LogP4.82
Rot. Bonds1

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

4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (PubChem CID 54586617) has the molecular formula C13H12BrCl2NS and a molecular weight of 365.12 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
PubChem CID54586617
Molecular FormulaC13H12BrCl2NS
Molecular Weight365.12 g/mol
Exact Mass362.93
IUPAC Name4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride
SMILESCl.Clc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNS.ClH/c14-9-3-1-8(2-4-9)11-6-16-7-12-10(11)5-13(15)17-12;/h1-5,11,16H,6-7H2;1H
InChIKeyIKKNWZJLUIUWRV-UHFFFAOYSA-N
XLogP4.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.12
LogP ≤ 54.82
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-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride (CID 54586617) is 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is Cl.Clc1cc2c(s1)CNCC2c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
The InChIKey is IKKNWZJLUIUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNS.ClH/c14-9-3-1-8(2-4-9)11-6-16-7-12-10(11)5-13(15)17-12;/h1-5,11,16H,6-7H2;1H.
What are the key properties of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride?
4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride has a molecular weight of 365.12 g/mol, XLogP of 4.82, 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-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 54586617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).