3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine

C12H10ClN3S — CID 117165849

IUPAC3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1-c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-2-10-15-8-4-3-7-14-12(8)16(10)11-6-5-9(13)17-11/h3-7H,2H2,1H3
InChIKeyIFWOCTRLYPDWJJ-UHFFFAOYSA-N
MW263.75 g/mol
LogP3.70
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine

3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine (PubChem CID 117165849) has the molecular formula C12H10ClN3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
PubChem CID117165849
Molecular FormulaC12H10ClN3S
Molecular Weight263.75 g/mol
Exact Mass263.03
IUPAC Name3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine
SMILESCCc1nc2cccnc2n1-c1ccc(Cl)s1
InChIInChI=1S/C12H10ClN3S/c1-2-10-15-8-4-3-7-14-12(8)16(10)11-6-5-9(13)17-11/h3-7H,2H2,1H3
InChIKeyIFWOCTRLYPDWJJ-UHFFFAOYSA-N
XLogP3.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chlorothiophen-2-yl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164830
2-(2,2-dimethylpropyl)-3-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117165868
5-chloro-N-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 53022466
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
7-chloro-3-ethyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 11458952
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
2-(chloromethyl)-3-(5-chloro-2-methylphenyl)imidazo[4,5-b]pyridine
CID 79289697
[3-(3-chloro-2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 96668761
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)thiane 1,1-dioxide
CID 117165614
[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methanamine
CID 82481512
4-(2-ethylimidazo[4,5-b]pyridin-3-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 20916068

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine (CID 117165849) is 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine is CCc1nc2cccnc2n1-c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine?
The InChIKey is IFWOCTRLYPDWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3S/c1-2-10-15-8-4-3-7-14-12(8)16(10)11-6-5-9(13)17-11/h3-7H,2H2,1H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine?
3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine has a molecular weight of 263.75 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-2-ethylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).