2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine

C13H9BrN2S — CID 89447556

IUPAC2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2)sc2ncccc12
InChIInChI=1S/C13H9BrN2S/c14-9-5-3-8(4-6-9)12-11(15)10-2-1-7-16-13(10)17-12/h1-7H,15H2
InChIKeyQCVRIWDNKCPZAI-UHFFFAOYSA-N
MW305.20 g/mol
LogP4.31
Rot. Bonds1

About 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine

2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine (PubChem CID 89447556) has the molecular formula C13H9BrN2S and a molecular weight of 305.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
PubChem CID89447556
Molecular FormulaC13H9BrN2S
Molecular Weight305.20 g/mol
Exact Mass303.97
IUPAC Name2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine
SMILESNc1c(-c2ccc(Br)cc2)sc2ncccc12
InChIInChI=1S/C13H9BrN2S/c14-9-5-3-8(4-6-9)12-11(15)10-2-1-7-16-13(10)17-12/h1-7H,15H2
InChIKeyQCVRIWDNKCPZAI-UHFFFAOYSA-N
XLogP4.31
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine (CID 89447556) is 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine is Nc1c(-c2ccc(Br)cc2)sc2ncccc12.
What is the InChIKey of 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is QCVRIWDNKCPZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2S/c14-9-5-3-8(4-6-9)12-11(15)10-2-1-7-16-13(10)17-12/h1-7H,15H2.
What are the key properties of 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine?
2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 305.20 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 89447556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).