methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate

C13H8Cl2N2O3 — CID 117252289

IUPACmethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(Cl)o3)nc(Cl)c12
InChIInChI=1S/C13H8Cl2N2O3/c1-19-13(18)7-3-2-6-17-10(7)11(15)16-12(17)8-4-5-9(14)20-8/h2-6H,1H3
InChIKeyHCYQIGCEEFOXPF-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.69
Rot. Bonds2

About methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate

methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate (PubChem CID 117252289) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
PubChem CID117252289
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Namemethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(-c3ccc(Cl)o3)nc(Cl)c12
InChIInChI=1S/C13H8Cl2N2O3/c1-19-13(18)7-3-2-6-17-10(7)11(15)16-12(17)8-4-5-9(14)20-8/h2-6H,1H3
InChIKeyHCYQIGCEEFOXPF-UHFFFAOYSA-N
XLogP3.69
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250443
methyl 1-chloro-3-(thian-4-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252222
methyl 1-formyl-3-methylimidazo[1,5-a]pyridine-8-carboxylate
CID 83836379
methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142734
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
1-chloro-3-(2-methoxyethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252114
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250442
methyl 3-chloroindolizine-1-carboxylate
CID 102287159
methyl 3-(5-chlorothiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147661
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252354

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The IUPAC name of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate (CID 117252289) is methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(-c3ccc(Cl)o3)nc(Cl)c12.
What is the InChIKey of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
The InChIKey is HCYQIGCEEFOXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c1-19-13(18)7-3-2-6-17-10(7)11(15)16-12(17)8-4-5-9(14)20-8/h2-6H,1H3.
What are the key properties of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate?
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate has a molecular weight of 311.12 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate is sourced from PubChem (CID 117252289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).