methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

C9H11BrN2O2 — CID 131535324

IUPACmethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2Br)C1
InChIInChI=1S/C9H11BrN2O2/c1-14-8(13)6-2-3-12-7(4-6)5-11-9(12)10/h5-6H,2-4H2,1H3
InChIKeyQGPCGCOILDAAFN-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.38
Rot. Bonds1

About methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate

methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 131535324) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID131535324
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Namemethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(cnc2Br)C1
InChIInChI=1S/C9H11BrN2O2/c1-14-8(13)6-2-3-12-7(4-6)5-11-9(12)10/h5-6H,2-4H2,1H3
InChIKeyQGPCGCOILDAAFN-UHFFFAOYSA-N
XLogP1.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 131535324) is methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CCn2c(cnc2Br)C1.
What is the InChIKey of methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is QGPCGCOILDAAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-14-8(13)6-2-3-12-7(4-6)5-11-9(12)10/h5-6H,2-4H2,1H3.
What are the key properties of methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 259.10 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 131535324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).