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

C14H14BrNS — CID 20546702

IUPAC4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNS/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
InChIKeyGQALNSQSZFUUBP-UHFFFAOYSA-N
MW308.24 g/mol
LogP4.05
Rot. Bonds1

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

4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 20546702) has the molecular formula C14H14BrNS and a molecular weight of 308.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID20546702
Molecular FormulaC14H14BrNS
Molecular Weight308.24 g/mol
Exact Mass307.00
IUPAC Name4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESCc1cc2c(s1)CNCC2c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNS/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
InChIKeyGQALNSQSZFUUBP-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 54.05
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?
The IUPAC name of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 20546702) is 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Cc1cc2c(s1)CNCC2c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is GQALNSQSZFUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNS/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.
What are the key properties of 4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
4-(4-bromophenyl)-2-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 308.24 g/mol, XLogP of 4.05, 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 is sourced from PubChem (CID 20546702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).