ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate

C11H12N2O2 — CID 89115051

IUPACethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1C=C=Cn2c1cnc2C
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-5-4-6-13-8(2)12-7-10(9)13/h5-7,9H,3H2,1-2H3
InChIKeyXVZLANYYUAJJLA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.48
Rot. Bonds2

About ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate

ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 89115051) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID89115051
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Nameethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate
SMILESCCOC(=O)C1C=C=Cn2c1cnc2C
InChIInChI=1S/C11H12N2O2/c1-3-15-11(14)9-5-4-6-13-8(2)12-7-10(9)13/h5-7,9H,3H2,1-2H3
InChIKeyXVZLANYYUAJJLA-UHFFFAOYSA-N
XLogP1.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylimidazoleacetic acid
CID 75810
1-Methylimidazole-5-acetic acid
CID 6451814
1-Methyl-4-imidazoleacetate
CID 21283465
Aminozooanemonin
CID 10080783
2-(8-methyl-5H,6H,7H,8H-imidazo(1,2-a)pyridin-3-yl)acetic acid hydrochloride
CID 132371662
methyl 2-{5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-3-yl}acetate
CID 137217184
2-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}acetic acid
CID 82111506
Methyl 2-[3-(fluoromethyl)imidazol-4-yl]acetate
CID 141934909
Ethyl 2-(imidazo[1,2-a]pyrazin-2-yl)acetate
CID 12674612
2-(1,3-Dimethylimidazol-1-ium-4-yl)acetate
CID 12184487
Ethyl 2-(1-methyl-1H-imidazol-5-yl)acetate
CID 119081651
2-[3-Ethyl-2-(trifluoromethyl)imidazol-4-yl]acetic acid
CID 83822731

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate (CID 89115051) is ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate is CCOC(=O)C1C=C=Cn2c1cnc2C.
What is the InChIKey of ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is XVZLANYYUAJJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-15-11(14)9-5-4-6-13-8(2)12-7-10(9)13/h5-7,9H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate?
ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 204.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-8H-imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 89115051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).