methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

C13H17ClN2O3 — CID 117248214

IUPACmethyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(C3CCOC3)n2C1
InChIInChI=1S/C13H17ClN2O3/c1-18-13(17)8-2-3-10-11(14)15-12(16(10)6-8)9-4-5-19-7-9/h8-9H,2-7H2,1H3
InChIKeyLOGIKKLCDHYWTJ-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.78
Rot. Bonds2

About methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate

methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (PubChem CID 117248214) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
PubChem CID117248214
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)C1CCc2c(Cl)nc(C3CCOC3)n2C1
InChIInChI=1S/C13H17ClN2O3/c1-18-13(17)8-2-3-10-11(14)15-12(16(10)6-8)9-4-5-19-7-9/h8-9H,2-7H2,1H3
InChIKeyLOGIKKLCDHYWTJ-UHFFFAOYSA-N
XLogP1.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate (CID 117248214) is methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is COC(=O)C1CCc2c(Cl)nc(C3CCOC3)n2C1.
What is the InChIKey of methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
The InChIKey is LOGIKKLCDHYWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-18-13(17)8-2-3-10-11(14)15-12(16(10)6-8)9-4-5-19-7-9/h8-9H,2-7H2,1H3.
What are the key properties of methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate?
methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate has a molecular weight of 284.74 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(oxolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117248214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).