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

C9H11ClN2O2 — CID 117249222

IUPACmethyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2cnc(Cl)c2C1
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)6-2-3-12-5-11-8(10)7(12)4-6/h5-6H,2-4H2,1H3
InChIKeySVVMVCDWEZBJKS-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.27
Rot. Bonds1

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

methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (PubChem CID 117249222) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
PubChem CID117249222
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Namemethyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2cnc(Cl)c2C1
InChIInChI=1S/C9H11ClN2O2/c1-14-9(13)6-2-3-12-5-11-8(10)7(12)4-6/h5-6H,2-4H2,1H3
InChIKeySVVMVCDWEZBJKS-UHFFFAOYSA-N
XLogP1.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-chloro-3-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248901
methyl 1-chloro-3-(2-hydroxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 137005490
methyl 1-chloro-3-(thian-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117248986
methyl 1-(2,6-dichloro-4-pyridinyl)piperidine-4-carboxylate
CID 87174001
methyl 1-(5-chloro-1-methylimidazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 35298247
methyl 3-amino-1-methyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 105462926
methyl 1-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate;methyl 3-trityl-4,5,6,7-tetrahydrobenzimidazole-5-carboxylate
CID 161161479
methyl 3-(3-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249264
methyl 3-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate
CID 117249482
methyl 1-[(2-chloro-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 25229111
methyl (6S)-1-(2-chloro-6-cyclopropylbenzoyl)-3-iodo-4,5,6,7-tetrahydroindazole-6-carboxylate
CID 122492615
methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 107596042

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate (CID 117249222) is methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is COC(=O)C1CCn2cnc(Cl)c2C1.
What is the InChIKey of methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
The InChIKey is SVVMVCDWEZBJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-14-9(13)6-2-3-12-5-11-8(10)7(12)4-6/h5-6H,2-4H2,1H3.
What are the key properties of methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate?
methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate has a molecular weight of 214.65 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 117249222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).