2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine

C16H18BrNS — CID 84610930

IUPAC2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
SMILESCC1NCC(C)(C)c2cc(-c3ccccc3Br)sc21
InChIInChI=1S/C16H18BrNS/c1-10-15-12(16(2,3)9-18-10)8-14(19-15)11-6-4-5-7-13(11)17/h4-8,10,18H,9H2,1-3H3
InChIKeyMUYVYFJMPBDVCN-UHFFFAOYSA-N
MW336.30 g/mol
LogP5.12
Rot. Bonds1

About 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine

2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine (PubChem CID 84610930) has the molecular formula C16H18BrNS and a molecular weight of 336.30 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
PubChem CID84610930
Molecular FormulaC16H18BrNS
Molecular Weight336.30 g/mol
Exact Mass335.03
IUPAC Name2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine
SMILESCC1NCC(C)(C)c2cc(-c3ccccc3Br)sc21
InChIInChI=1S/C16H18BrNS/c1-10-15-12(16(2,3)9-18-10)8-14(19-15)11-6-4-5-7-13(11)17/h4-8,10,18H,9H2,1-3H3
InChIKeyMUYVYFJMPBDVCN-UHFFFAOYSA-N
XLogP5.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.30
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The IUPAC name of 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine (CID 84610930) is 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The canonical SMILES for 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine is CC1NCC(C)(C)c2cc(-c3ccccc3Br)sc21.
What is the InChIKey of 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
The InChIKey is MUYVYFJMPBDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNS/c1-10-15-12(16(2,3)9-18-10)8-14(19-15)11-6-4-5-7-13(11)17/h4-8,10,18H,9H2,1-3H3.
What are the key properties of 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine?
2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine has a molecular weight of 336.30 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-4,4,7-trimethyl-6,7-dihydro-5H-thieno[2,3-c]pyridine is sourced from PubChem (CID 84610930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).