7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine

C14H17ClN2OS — CID 22143516

IUPAC7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine
SMILESClc1ccnc2cc(COCCN3CCCC3)sc12
InChIInChI=1S/C14H17ClN2OS/c15-12-3-4-16-13-9-11(19-14(12)13)10-18-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2
InChIKeyBVGWGBJYYYXNIV-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.56
Rot. Bonds5

About 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine

7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine (PubChem CID 22143516) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine
PubChem CID22143516
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine
SMILESClc1ccnc2cc(COCCN3CCCC3)sc12
InChIInChI=1S/C14H17ClN2OS/c15-12-3-4-16-13-9-11(19-14(12)13)10-18-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2
InChIKeyBVGWGBJYYYXNIV-UHFFFAOYSA-N
XLogP3.56
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine?
The IUPAC name of 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine (CID 22143516) is 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine is Clc1ccnc2cc(COCCN3CCCC3)sc12.
What is the InChIKey of 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine?
The InChIKey is BVGWGBJYYYXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-12-3-4-16-13-9-11(19-14(12)13)10-18-8-7-17-5-1-2-6-17/h3-4,9H,1-2,5-8,10H2.
What are the key properties of 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine?
7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine has a molecular weight of 296.82 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-pyrrolidin-1-ylethoxymethyl)thieno[3,2-b]pyridine is sourced from PubChem (CID 22143516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).