2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine

C10H6ClN3S — CID 80642200

IUPAC2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccsc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C10H6ClN3S/c11-6-3-5-15-8(6)10-13-7-2-1-4-12-9(7)14-10/h1-5H,(H,12,13,14)
InChIKeyLMGPTYNGEJBURJ-UHFFFAOYSA-N
MW235.70 g/mol
LogP3.34
Rot. Bonds1

About 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine

2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 80642200) has the molecular formula C10H6ClN3S and a molecular weight of 235.70 g/mol. Its IUPAC name is 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID80642200
Molecular FormulaC10H6ClN3S
Molecular Weight235.70 g/mol
Exact Mass235.00
IUPAC Name2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine
SMILESClc1ccsc1-c1nc2ncccc2[nH]1
InChIInChI=1S/C10H6ClN3S/c11-6-3-5-15-8(6)10-13-7-2-1-4-12-9(7)14-10/h1-5H,(H,12,13,14)
InChIKeyLMGPTYNGEJBURJ-UHFFFAOYSA-N
XLogP3.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.70
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine (CID 80642200) is 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine is Clc1ccsc1-c1nc2ncccc2[nH]1.
What is the InChIKey of 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is LMGPTYNGEJBURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3S/c11-6-3-5-15-8(6)10-13-7-2-1-4-12-9(7)14-10/h1-5H,(H,12,13,14).
What are the key properties of 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine?
2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 235.70 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorothiophen-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 80642200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).