4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine

C11H12BrNOS — CID 63205306

IUPAC4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine
SMILESCOCC(Br)Cc1nccc2sccc12
InChIInChI=1S/C11H12BrNOS/c1-14-7-8(12)6-10-9-3-5-15-11(9)2-4-13-10/h2-5,8H,6-7H2,1H3
InChIKeyLITDZSVGIOIBHZ-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.25
Rot. Bonds4

About 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine

4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine (PubChem CID 63205306) has the molecular formula C11H12BrNOS and a molecular weight of 286.19 g/mol. Its IUPAC name is 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine
PubChem CID63205306
Molecular FormulaC11H12BrNOS
Molecular Weight286.19 g/mol
Exact Mass284.98
IUPAC Name4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine
SMILESCOCC(Br)Cc1nccc2sccc12
InChIInChI=1S/C11H12BrNOS/c1-14-7-8(12)6-10-9-3-5-15-11(9)2-4-13-10/h2-5,8H,6-7H2,1H3
InChIKeyLITDZSVGIOIBHZ-UHFFFAOYSA-N
XLogP3.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine (CID 63205306) is 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine is COCC(Br)Cc1nccc2sccc12.
What is the InChIKey of 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine?
The InChIKey is LITDZSVGIOIBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNOS/c1-14-7-8(12)6-10-9-3-5-15-11(9)2-4-13-10/h2-5,8H,6-7H2,1H3.
What are the key properties of 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine?
4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine has a molecular weight of 286.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 63205306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).