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

C12H14BrNS — CID 63203848

IUPAC4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine
SMILESCC(C)C(Br)Cc1nccc2sccc12
InChIInChI=1S/C12H14BrNS/c1-8(2)10(13)7-11-9-4-6-15-12(9)3-5-14-11/h3-6,8,10H,7H2,1-2H3
InChIKeyPUAWLBFIMVFUHC-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.26
Rot. Bonds3

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

4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine (PubChem CID 63203848) has the molecular formula C12H14BrNS and a molecular weight of 284.22 g/mol. Its IUPAC name is 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine
PubChem CID63203848
Molecular FormulaC12H14BrNS
Molecular Weight284.22 g/mol
Exact Mass283.00
IUPAC Name4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine
SMILESCC(C)C(Br)Cc1nccc2sccc12
InChIInChI=1S/C12H14BrNS/c1-8(2)10(13)7-11-9-4-6-15-12(9)3-5-14-11/h3-6,8,10H,7H2,1-2H3
InChIKeyPUAWLBFIMVFUHC-UHFFFAOYSA-N
XLogP4.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methylbutyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine (CID 63203848) is 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine is CC(C)C(Br)Cc1nccc2sccc12.
What is the InChIKey of 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine?
The InChIKey is PUAWLBFIMVFUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNS/c1-8(2)10(13)7-11-9-4-6-15-12(9)3-5-14-11/h3-6,8,10H,7H2,1-2H3.
What are the key properties of 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine?
4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine has a molecular weight of 284.22 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 63203848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).