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

C13H11BrClNS — CID 20546703

IUPAC4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNS/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
InChIKeyQQKIRMSLWKTONS-UHFFFAOYSA-N
MW328.66 g/mol
LogP4.40
Rot. Bonds1

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

4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 20546703) has the molecular formula C13H11BrClNS and a molecular weight of 328.66 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID20546703
Molecular FormulaC13H11BrClNS
Molecular Weight328.66 g/mol
Exact Mass326.95
IUPAC Name4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C13H11BrClNS/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
InChIKeyQQKIRMSLWKTONS-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.66
LogP ≤ 54.40
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?
The IUPAC name of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 20546703) is 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Clc1cc2c(s1)CNCC2c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is QQKIRMSLWKTONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNS/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.
What are the key properties of 4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
4-(4-bromophenyl)-2-chloro-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 328.66 g/mol, XLogP of 4.40, 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 is sourced from PubChem (CID 20546703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).