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

C10H13BrN2O2 — CID 131355066

IUPACethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Br)n2c1CCCC2
InChIInChI=1S/C10H13BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h2-6H2,1H3
InChIKeyPEZVIAWJAKEINQ-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.16
Rot. Bonds2

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

ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 131355066) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID131355066
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Nameethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCCOC(=O)c1nc(Br)n2c1CCCC2
InChIInChI=1S/C10H13BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h2-6H2,1H3
InChIKeyPEZVIAWJAKEINQ-UHFFFAOYSA-N
XLogP2.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-bromo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 68793305
ethyl 7-bromo-2-methyl-4-pyrrolidin-1-ylimidazo[5,1-f][1,2,4]triazine-5-carboxylate
CID 134961552
(3-methyloxetan-3-yl)methyl 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylate
CID 47590267
ethyl 2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylate
CID 125453739
3-bromo-1-(methylsulfanylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117247191
ethyl 4-[1-(propylcarbamoyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109072152
(3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanethiol
CID 117247198
ethyl 2-bromo-5-ethyl-1,3-thiazole-4-carboxylate
CID 13015593
ethyl 2-bromo-5-iodo-1,3-thiazole-4-carboxylate
CID 91903053
ethyl 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 9267927
[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]methyl 3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxylate
CID 166279051
ethyl 4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate
CID 591709

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate (CID 131355066) is ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate is CCOC(=O)c1nc(Br)n2c1CCCC2.
What is the InChIKey of ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is PEZVIAWJAKEINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-2-15-9(14)8-7-5-3-4-6-13(7)10(11)12-8/h2-6H2,1H3.
What are the key properties of ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate?
ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 273.13 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 131355066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).