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

C10H13BrN2O2 — CID 117247803

IUPACmethyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2c(Br)nc(C)n21
InChIInChI=1S/C10H13BrN2O2/c1-6-12-9(11)7-4-3-5-8(13(6)7)10(14)15-2/h8H,3-5H2,1-2H3
InChIKeyJBVLFOMJSSXJDQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.00
Rot. Bonds1

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

methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117247803) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117247803
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Namemethyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)C1CCCc2c(Br)nc(C)n21
InChIInChI=1S/C10H13BrN2O2/c1-6-12-9(11)7-4-3-5-8(13(6)7)10(14)15-2/h8H,3-5H2,1-2H3
InChIKeyJBVLFOMJSSXJDQ-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-chloro-3-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247821
5-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247863
3-(4-hydroxyphenyl)-5-methoxycarbonyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005447
5-methoxycarbonyl-3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117247945
1-bromo-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylic acid
CID 117247370
methyl 3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate
CID 10241424
methyl 3-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247825
methyl 3-(5-methylthiophen-2-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate
CID 117247616
3-(1-hydroxy-6-methoxycarbonyl-4-oxo-6,7,8,9-tetrahydroquinolizin-3-yl)propanoic acid
CID 11000919
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568086
methyl 2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568091
methyl 2-cyclohexyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 82568096

Frequently Asked Questions

What is the IUPAC name of methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate (CID 117247803) is methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is COC(=O)C1CCCc2c(Br)nc(C)n21.
What is the InChIKey of methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is JBVLFOMJSSXJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-6-12-9(11)7-4-3-5-8(13(6)7)10(14)15-2/h8H,3-5H2,1-2H3.
What are the key properties of methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate?
methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 273.13 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-bromo-3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117247803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).