benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate

C20H14BrN3O2 — CID 118663999

IUPACbenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C20H14BrN3O2/c21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyNXHHSPZFMJFGPS-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.52
Rot. Bonds4

About benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate

benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate (PubChem CID 118663999) has the molecular formula C20H14BrN3O2 and a molecular weight of 408.26 g/mol. Its IUPAC name is benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate
PubChem CID118663999
Molecular FormulaC20H14BrN3O2
Molecular Weight408.26 g/mol
Exact Mass407.03
IUPAC Namebenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate
SMILESO=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C20H14BrN3O2/c21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyNXHHSPZFMJFGPS-UHFFFAOYSA-N
XLogP4.52
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate?
The IUPAC name of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate (CID 118663999) is benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate.
What is the SMILES notation for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate?
The canonical SMILES for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate is O=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1.
What is the InChIKey of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate?
The InChIKey is NXHHSPZFMJFGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2/c21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate?
benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate has a molecular weight of 408.26 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate is sourced from PubChem (CID 118663999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).