6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

C13H11BrN4 — CID 138522628

IUPAC6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1Cc1ccccn1
InChIInChI=1S/C13H11BrN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3
InChIKeyMKJBAQYXIUZMCW-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.95
Rot. Bonds2

About 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine

6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 138522628) has the molecular formula C13H11BrN4 and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID138522628
Molecular FormulaC13H11BrN4
Molecular Weight303.16 g/mol
Exact Mass302.02
IUPAC Name6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1nc2ncc(Br)cc2n1Cc1ccccn1
InChIInChI=1S/C13H11BrN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3
InChIKeyMKJBAQYXIUZMCW-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 138522628) is 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1nc2ncc(Br)cc2n1Cc1ccccn1.
What is the InChIKey of 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is MKJBAQYXIUZMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4/c1-9-17-13-12(6-10(14)7-16-13)18(9)8-11-4-2-3-5-15-11/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine?
6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 303.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 138522628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).