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

C11H7Br2N3S — CID 80537885

IUPAC2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3cc(Br)c(Br)s3)[nH]c12
InChIInChI=1S/C11H7Br2N3S/c1-5-2-3-14-11-8(5)15-10(16-11)7-4-6(12)9(13)17-7/h2-4H,1H3,(H,14,15,16)
InChIKeyMXBZOWAJYSBYCQ-UHFFFAOYSA-N
MW373.07 g/mol
LogP4.52
Rot. Bonds1

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

2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (PubChem CID 80537885) has the molecular formula C11H7Br2N3S and a molecular weight of 373.07 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
PubChem CID80537885
Molecular FormulaC11H7Br2N3S
Molecular Weight373.07 g/mol
Exact Mass370.87
IUPAC Name2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine
SMILESCc1ccnc2nc(-c3cc(Br)c(Br)s3)[nH]c12
InChIInChI=1S/C11H7Br2N3S/c1-5-2-3-14-11-8(5)15-10(16-11)7-4-6(12)9(13)17-7/h2-4H,1H3,(H,14,15,16)
InChIKeyMXBZOWAJYSBYCQ-UHFFFAOYSA-N
XLogP4.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.07
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine (CID 80537885) is 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is Cc1ccnc2nc(-c3cc(Br)c(Br)s3)[nH]c12.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is MXBZOWAJYSBYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2N3S/c1-5-2-3-14-11-8(5)15-10(16-11)7-4-6(12)9(13)17-7/h2-4H,1H3,(H,14,15,16).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine?
2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 373.07 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-7-methyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 80537885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).