2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

C15H13BrN2S — CID 81144040

IUPAC2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1ccccc1Br)c1cnc2ccsc2c1
InChIInChI=1S/C15H13BrN2S/c16-12-4-2-1-3-10(12)7-13(17)11-8-15-14(18-9-11)5-6-19-15/h1-6,8-9,13H,7,17H2
InChIKeyNRLYOTLTFCUPHH-UHFFFAOYSA-N
MW333.25 g/mol
LogP4.30
Rot. Bonds3

About 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine

2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (PubChem CID 81144040) has the molecular formula C15H13BrN2S and a molecular weight of 333.25 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
PubChem CID81144040
Molecular FormulaC15H13BrN2S
Molecular Weight333.25 g/mol
Exact Mass332.00
IUPAC Name2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine
SMILESNC(Cc1ccccc1Br)c1cnc2ccsc2c1
InChIInChI=1S/C15H13BrN2S/c16-12-4-2-1-3-10(12)7-13(17)11-8-15-14(18-9-11)5-6-19-15/h1-6,8-9,13H,7,17H2
InChIKeyNRLYOTLTFCUPHH-UHFFFAOYSA-N
XLogP4.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine (CID 81144040) is 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is NC(Cc1ccccc1Br)c1cnc2ccsc2c1.
What is the InChIKey of 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
The InChIKey is NRLYOTLTFCUPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2S/c16-12-4-2-1-3-10(12)7-13(17)11-8-15-14(18-9-11)5-6-19-15/h1-6,8-9,13H,7,17H2.
What are the key properties of 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine?
2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine has a molecular weight of 333.25 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-thieno[3,2-b]pyridin-6-ylethanamine is sourced from PubChem (CID 81144040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).