2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine

C11H8BrN3S — CID 117164520

IUPAC2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ccc(Br)s2)nc2cccnc21
InChIInChI=1S/C11H8BrN3S/c1-15-10-7(3-2-6-13-10)14-11(15)8-4-5-9(12)16-8/h2-6H,1H3
InChIKeyWTVWPJRHCUMULJ-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.46
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine

2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine (PubChem CID 117164520) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
PubChem CID117164520
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine
SMILESCn1c(-c2ccc(Br)s2)nc2cccnc21
InChIInChI=1S/C11H8BrN3S/c1-15-10-7(3-2-6-13-10)14-11(15)8-4-5-9(12)16-8/h2-6H,1H3
InChIKeyWTVWPJRHCUMULJ-UHFFFAOYSA-N
XLogP3.46
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-methylimidazo[4,5-b]pyridine
CID 58577407
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164145
4-fluoro-2-(3-methylimidazo[4,5-b]pyridin-2-yl)phenol
CID 137010368
2-(5-bromothiophen-2-yl)-1-methylimidazole
CID 129415994
acetaldehyde;2,3-dimethylimidazo[4,5-b]pyridine
CID 144894477
2,4-dimethylpyrido[2,3-b]pyrazin-3-one;ethane
CID 90706892
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302
4-amino-5-(3-methylimidazo[4,5-b]pyridin-2-yl)-3-phenyl-1,3-thiazole-2-thione
CID 10712138
2,3-dimethyl-3-(3-methylimidazo[4,5-b]pyridin-2-yl)butan-2-amine
CID 65261518
2-but-2-ynoxy-3-methylimidazo[4,5-b]pyridine
CID 126954775
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
5-methyl-10-[2,4,6-tris(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]phenazine
CID 164705905

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine (CID 117164520) is 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine is Cn1c(-c2ccc(Br)s2)nc2cccnc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine?
The InChIKey is WTVWPJRHCUMULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c1-15-10-7(3-2-6-13-10)14-11(15)8-4-5-9(12)16-8/h2-6H,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine?
2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine has a molecular weight of 294.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-3-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).