4-(1-bromoethyl)thieno[3,2-c]pyridine

C9H8BrNS — CID 70376593

IUPAC4-(1-bromoethyl)thieno[3,2-c]pyridine
SMILESCC(Br)c1nccc2sccc12
InChIInChI=1S/C9H8BrNS/c1-6(10)9-7-3-5-12-8(7)2-4-11-9/h2-6H,1H3
InChIKeyVBDCTVJHEKLTFI-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.75
Rot. Bonds1

About 4-(1-bromoethyl)thieno[3,2-c]pyridine

4-(1-bromoethyl)thieno[3,2-c]pyridine (PubChem CID 70376593) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 4-(1-bromoethyl)thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-(1-bromoethyl)thieno[3,2-c]pyridine
PubChem CID70376593
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name4-(1-bromoethyl)thieno[3,2-c]pyridine
SMILESCC(Br)c1nccc2sccc12
InChIInChI=1S/C9H8BrNS/c1-6(10)9-7-3-5-12-8(7)2-4-11-9/h2-6H,1H3
InChIKeyVBDCTVJHEKLTFI-UHFFFAOYSA-N
XLogP3.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-thieno[3,2-c]pyridin-4-ylbutan-2-amine
CID 63199377
4-(2-bromo-3-methylbutyl)thieno[3,2-c]pyridine
CID 63203848
3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile
CID 63216332
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726
N-(1-bromopropan-2-yl)-N-methylthieno[3,2-c]pyridin-4-amine
CID 104555303
4-(2-bromo-3-methoxypropyl)thieno[3,2-c]pyridine
CID 63205306
1-thieno[3,2-c]pyridin-4-ylethanone
CID 130047659
4-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine
CID 76850460
N-(2,3,3-trimethylbutyl)thieno[3,2-c]pyridin-4-amine
CID 83143600
N-pentan-2-ylthieno[3,2-c]pyridin-4-amine
CID 43522745
N-(4-ethylsulfanylbutan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 115744792
N-tert-butylthieno[3,2-c]pyridin-4-amine
CID 126975731

Frequently Asked Questions

What is the IUPAC name of 4-(1-bromoethyl)thieno[3,2-c]pyridine?
The IUPAC name of 4-(1-bromoethyl)thieno[3,2-c]pyridine (CID 70376593) is 4-(1-bromoethyl)thieno[3,2-c]pyridine.
What is the SMILES notation for 4-(1-bromoethyl)thieno[3,2-c]pyridine?
The canonical SMILES for 4-(1-bromoethyl)thieno[3,2-c]pyridine is CC(Br)c1nccc2sccc12.
What is the InChIKey of 4-(1-bromoethyl)thieno[3,2-c]pyridine?
The InChIKey is VBDCTVJHEKLTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c1-6(10)9-7-3-5-12-8(7)2-4-11-9/h2-6H,1H3.
What are the key properties of 4-(1-bromoethyl)thieno[3,2-c]pyridine?
4-(1-bromoethyl)thieno[3,2-c]pyridine has a molecular weight of 242.14 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)thieno[3,2-c]pyridine is sourced from PubChem (CID 70376593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).