2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

C11H8BrN3S — CID 63723168

IUPAC2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3ccc(Br)s3)[nH]c12
InChIInChI=1S/C11H8BrN3S/c1-6-4-5-13-11-9(6)14-10(15-11)7-2-3-8(12)16-7/h2-5H,1H3,(H,13,14,15)
InChIKeyKLCCDYZDAAPUOR-UHFFFAOYSA-N
MW294.18 g/mol
LogP3.76
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine

2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 63723168) has the molecular formula C11H8BrN3S and a molecular weight of 294.18 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID63723168
Molecular FormulaC11H8BrN3S
Molecular Weight294.18 g/mol
Exact Mass292.96
IUPAC Name2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3ccc(Br)s3)[nH]c12
InChIInChI=1S/C11H8BrN3S/c1-6-4-5-13-11-9(6)14-10(15-11)7-2-3-8(12)16-7/h2-5H,1H3,(H,13,14,15)
InChIKeyKLCCDYZDAAPUOR-UHFFFAOYSA-N
XLogP3.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (CID 63723168) is 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(-c3ccc(Br)s3)[nH]c12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is KLCCDYZDAAPUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3S/c1-6-4-5-13-11-9(6)14-10(15-11)7-2-3-8(12)16-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 294.18 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 63723168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).