3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

C12H8BrN3S — CID 18450780

IUPAC3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(Br)c12
InChIInChI=1S/C12H8BrN3S/c13-9-6-17-11-8(5-16-12(14)10(9)11)7-2-1-3-15-4-7/h1-6H,(H2,14,16)
InChIKeyPBECVCZRKNZXCA-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.70
Rot. Bonds1

About 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine

3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (PubChem CID 18450780) has the molecular formula C12H8BrN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
PubChem CID18450780
Molecular FormulaC12H8BrN3S
Molecular Weight306.19 g/mol
Exact Mass304.96
IUPAC Name3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(-c2cccnc2)c2scc(Br)c12
InChIInChI=1S/C12H8BrN3S/c13-9-6-17-11-8(5-16-12(14)10(9)11)7-2-1-3-15-4-7/h1-6H,(H2,14,16)
InChIKeyPBECVCZRKNZXCA-UHFFFAOYSA-N
XLogP3.70
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine (CID 18450780) is 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is Nc1ncc(-c2cccnc2)c2scc(Br)c12.
What is the InChIKey of 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
The InChIKey is PBECVCZRKNZXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3S/c13-9-6-17-11-8(5-16-12(14)10(9)11)7-2-1-3-15-4-7/h1-6H,(H2,14,16).
What are the key properties of 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine?
3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine has a molecular weight of 306.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-pyridin-3-ylthieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18450780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).