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

C9H6ClFN2O2 — CID 130066471

IUPACmethyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C9H6ClFN2O2/c1-15-9(14)7-8-6(11)5(10)2-3-13(8)4-12-7/h2-4H,1H3
InChIKeyYUMXEXQADFTHHF-UHFFFAOYSA-N
MW228.61 g/mol
LogP1.91
Rot. Bonds1

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

methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate (PubChem CID 130066471) has the molecular formula C9H6ClFN2O2 and a molecular weight of 228.61 g/mol. Its IUPAC name is methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate
PubChem CID130066471
Molecular FormulaC9H6ClFN2O2
Molecular Weight228.61 g/mol
Exact Mass228.01
IUPAC Namemethyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate
SMILESCOC(=O)c1ncn2ccc(Cl)c(F)c12
InChIInChI=1S/C9H6ClFN2O2/c1-15-9(14)7-8-6(11)5(10)2-3-13(8)4-12-7/h2-4H,1H3
InChIKeyYUMXEXQADFTHHF-UHFFFAOYSA-N
XLogP1.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.61
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate 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 methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate?
The IUPAC name of methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate (CID 130066471) is methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate.
What is the SMILES notation for methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate?
The canonical SMILES for methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate is COC(=O)c1ncn2ccc(Cl)c(F)c12.
What is the InChIKey of methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate?
The InChIKey is YUMXEXQADFTHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O2/c1-15-9(14)7-8-6(11)5(10)2-3-13(8)4-12-7/h2-4H,1H3.
What are the key properties of methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate?
methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate has a molecular weight of 228.61 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-8-fluoroimidazo[1,5-a]pyridine-1-carboxylate is sourced from PubChem (CID 130066471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).