methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate

C11H11ClN2O3 — CID 117250231

IUPACmethyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2c(Cl)nc(CCO)n12
InChIInChI=1S/C11H11ClN2O3/c1-17-11(16)8-4-2-3-7-10(12)13-9(5-6-15)14(7)8/h2-4,15H,5-6H2,1H3
InChIKeyDZAKHZZECHYXCQ-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.31
Rot. Bonds3

About methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate

methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117250231) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117250231
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Namemethyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2c(Cl)nc(CCO)n12
InChIInChI=1S/C11H11ClN2O3/c1-17-11(16)8-4-2-3-7-10(12)13-9(5-6-15)14(7)8/h2-4,15H,5-6H2,1H3
InChIKeyDZAKHZZECHYXCQ-UHFFFAOYSA-N
XLogP1.31
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate (CID 117250231) is methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2c(Cl)nc(CCO)n12.
What is the InChIKey of methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is DZAKHZZECHYXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-11(16)8-4-2-3-7-10(12)13-9(5-6-15)14(7)8/h2-4,15H,5-6H2,1H3.
What are the key properties of methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate?
methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate has a molecular weight of 254.67 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117250231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).