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

C11H15ClN2O2 — CID 117249851

IUPACmethyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCCc1nc(Cl)c2n1CCCC2C(=O)OC
InChIInChI=1S/C11H15ClN2O2/c1-3-8-13-10(12)9-7(11(15)16-2)5-4-6-14(8)9/h7H,3-6H2,1-2H3
InChIKeyDNHCUHTUMDEKDP-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.15
Rot. Bonds2

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

methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117249851) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117249851
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Namemethyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
SMILESCCc1nc(Cl)c2n1CCCC2C(=O)OC
InChIInChI=1S/C11H15ClN2O2/c1-3-8-13-10(12)9-7(11(15)16-2)5-4-6-14(8)9/h7H,3-6H2,1-2H3
InChIKeyDNHCUHTUMDEKDP-UHFFFAOYSA-N
XLogP2.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate with MolForge

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Related Compounds

methyl 1-chloro-3-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249542
methyl 1-chloro-3-cyclopropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250140
1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
CID 83885946
methyl 1-chloro-3-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117249810
(3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)methanol
CID 112552392
3-tert-butyl-1-chloro-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117249922
8-methoxycarbonyl-3-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249826
8-methoxycarbonyl-3-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249959
1-(3-ethyl-1-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yl)-N-methylmethanamine
CID 83865196
3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid;hydrochloride
CID 146049793
1-bromo-3-ethyl-8-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 83843433
methyl 3-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate
CID 117250020

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate (CID 117249851) is methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is CCc1nc(Cl)c2n1CCCC2C(=O)OC.
What is the InChIKey of methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is DNHCUHTUMDEKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-3-8-13-10(12)9-7(11(15)16-2)5-4-6-14(8)9/h7H,3-6H2,1-2H3.
What are the key properties of methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 242.71 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-ethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117249851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).