1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine

C14H12BrN3O — CID 117246974

IUPAC1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(COc3cccnc3)nc(Br)c2c1
InChIInChI=1S/C14H12BrN3O/c1-10-4-6-18-12(7-10)14(15)17-13(18)9-19-11-3-2-5-16-8-11/h2-8H,9H2,1H3
InChIKeyGKAYTIAEYZCZNQ-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.38
Rot. Bonds3

About 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine

1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine (PubChem CID 117246974) has the molecular formula C14H12BrN3O and a molecular weight of 318.17 g/mol. Its IUPAC name is 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
PubChem CID117246974
Molecular FormulaC14H12BrN3O
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine
SMILESCc1ccn2c(COc3cccnc3)nc(Br)c2c1
InChIInChI=1S/C14H12BrN3O/c1-10-4-6-18-12(7-10)14(15)17-13(18)9-19-11-3-2-5-16-8-11/h2-8H,9H2,1H3
InChIKeyGKAYTIAEYZCZNQ-UHFFFAOYSA-N
XLogP3.38
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-bromo-7-methyl-3-(2-phenoxyethyl)imidazo[1,5-a]pyridine
CID 84744970
3-benzyl-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 84744103
3-[(3-chlorophenoxy)methyl]-7-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117246957
3-(azetidin-3-ylmethyl)-1-bromo-7-methylimidazo[1,5-a]pyridine
CID 117254173
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
1-bromo-7-methylimidazo[1,5-a]pyridin-3-amine
CID 83867496
1-bromo-7-methyl-3-(4-methylphenyl)imidazo[1,5-a]pyridine
CID 84744102
7-amino-3-[(3-methylphenoxy)methyl]imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255504
1-bromo-3-(3,5-dimethoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 84745418
5-methyl-2-(pyridin-3-yloxymethyl)-1H-indole
CID 117185410
1-bromo-8-methyl-3-[(4-methylphenoxy)methyl]imidazo[1,5-a]pyridine
CID 84744964

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine (CID 117246974) is 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine is Cc1ccn2c(COc3cccnc3)nc(Br)c2c1.
What is the InChIKey of 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine?
The InChIKey is GKAYTIAEYZCZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3O/c1-10-4-6-18-12(7-10)14(15)17-13(18)9-19-11-3-2-5-16-8-11/h2-8H,9H2,1H3.
What are the key properties of 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine?
1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine has a molecular weight of 318.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-methyl-3-(pyridin-3-yloxymethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 117246974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).