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

C7H4BrIN2S — CID 18450791

IUPAC3-bromo-7-iodothieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(I)c2scc(Br)c12
InChIInChI=1S/C7H4BrIN2S/c8-3-2-12-6-4(9)1-11-7(10)5(3)6/h1-2H,(H2,10,11)
InChIKeyOVNILLPRKSZWCS-UHFFFAOYSA-N
MW355.00 g/mol
LogP3.25
Rot. Bonds

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

3-bromo-7-iodothieno[3,2-c]pyridin-4-amine (PubChem CID 18450791) has the molecular formula C7H4BrIN2S and a molecular weight of 355.00 g/mol. Its IUPAC name is 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-7-iodothieno[3,2-c]pyridin-4-amine
PubChem CID18450791
Molecular FormulaC7H4BrIN2S
Molecular Weight355.00 g/mol
Exact Mass353.83
IUPAC Name3-bromo-7-iodothieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(I)c2scc(Br)c12
InChIInChI=1S/C7H4BrIN2S/c8-3-2-12-6-4(9)1-11-7(10)5(3)6/h1-2H,(H2,10,11)
InChIKeyOVNILLPRKSZWCS-UHFFFAOYSA-N
XLogP3.25
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.00
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine?
The IUPAC name of 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine (CID 18450791) is 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine is Nc1ncc(I)c2scc(Br)c12.
What is the InChIKey of 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine?
The InChIKey is OVNILLPRKSZWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrIN2S/c8-3-2-12-6-4(9)1-11-7(10)5(3)6/h1-2H,(H2,10,11).
What are the key properties of 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine?
3-bromo-7-iodothieno[3,2-c]pyridin-4-amine has a molecular weight of 355.00 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-iodothieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 18450791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).