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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Related Compounds

6-iodo-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522273
6-bromo-1-[(3-fluorophenyl)methyl]-2-methylimidazo[4,5-b]pyridine
CID 138522533
6-(4-methoxypyrrolo[3,2-d]pyrimidin-5-yl)-2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 138522314
6-bromo-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306561
methyl N-methyl-1-(methylideneamino)-3-[2-methyl-1-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridin-6-yl]pyrrole-2-carboximidate
CID 138532744
6-bromo-3-(pyridin-2-ylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79307040
1-benzyl-2-methylimidazo[4,5-b]pyridine
CID 151866013
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
5-chloro-2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 24904003
ethane;6-fluoro-2-methyl-3-(pyridin-2-ylmethyl)quinazolin-4-one
CID 145212635
2-tert-butyl-1-(pyridin-2-ylmethyl)benzimidazol-5-amine
CID 62507178
6-bromo-3-methyl-1-(pyridazin-3-ylmethyl)imidazo[4,5-b]pyridin-2-one
CID 134489893

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).