methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate

C12H11BrN2O2 — CID 116984907

IUPACmethyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(Br)c3ccccn23)CC1
InChIInChI=1S/C12H11BrN2O2/c1-17-11(16)12(5-6-12)10-14-9(13)8-4-2-3-7-15(8)10/h2-4,7H,5-6H2,1H3
InChIKeyBYSVYNLPBACHMV-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.30
Rot. Bonds2

About methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate

methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate (PubChem CID 116984907) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate
PubChem CID116984907
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Namemethyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2nc(Br)c3ccccn23)CC1
InChIInChI=1S/C12H11BrN2O2/c1-17-11(16)12(5-6-12)10-14-9(13)8-4-2-3-7-15(8)10/h2-4,7H,5-6H2,1H3
InChIKeyBYSVYNLPBACHMV-UHFFFAOYSA-N
XLogP2.30
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate (CID 116984907) is methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2nc(Br)c3ccccn23)CC1.
What is the InChIKey of methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate?
The InChIKey is BYSVYNLPBACHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-17-11(16)12(5-6-12)10-14-9(13)8-4-2-3-7-15(8)10/h2-4,7H,5-6H2,1H3.
What are the key properties of methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate?
methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate has a molecular weight of 295.14 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-bromoimidazo[1,5-a]pyridin-3-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116984907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).