1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid

C11H11ClN2O3 — CID 117252114

IUPAC1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCOCCc1nc(Cl)c2c(C(=O)O)cccn12
InChIInChI=1S/C11H11ClN2O3/c1-17-6-4-8-13-10(12)9-7(11(15)16)3-2-5-14(8)9/h2-3,5H,4,6H2,1H3,(H,15,16)
InChIKeyNDPRBJCLOHBGAO-UHFFFAOYSA-N
MW254.67 g/mol
LogP1.87
Rot. Bonds4

About 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid

1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 117252114) has the molecular formula C11H11ClN2O3 and a molecular weight of 254.67 g/mol. Its IUPAC name is 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID117252114
Molecular FormulaC11H11ClN2O3
Molecular Weight254.67 g/mol
Exact Mass254.05
IUPAC Name1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCOCCc1nc(Cl)c2c(C(=O)O)cccn12
InChIInChI=1S/C11H11ClN2O3/c1-17-6-4-8-13-10(12)9-7(11(15)16)3-2-5-14(8)9/h2-3,5H,4,6H2,1H3,(H,15,16)
InChIKeyNDPRBJCLOHBGAO-UHFFFAOYSA-N
XLogP1.87
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.67
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 117252114) is 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid is COCCc1nc(Cl)c2c(C(=O)O)cccn12.
What is the InChIKey of 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is NDPRBJCLOHBGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O3/c1-17-6-4-8-13-10(12)9-7(11(15)16)3-2-5-14(8)9/h2-3,5H,4,6H2,1H3,(H,15,16).
What are the key properties of 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 254.67 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117252114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).