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

C13H8Cl2N2O3 — CID 117250443

IUPACmethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C13H8Cl2N2O3/c1-19-13(18)8-4-2-3-7-11(15)16-12(17(7)8)9-5-6-10(14)20-9/h2-6H,1H3
InChIKeyFPIGATPWBOUWCF-UHFFFAOYSA-N
MW311.12 g/mol
LogP3.69
Rot. Bonds2

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

methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate (PubChem CID 117250443) 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-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
PubChem CID117250443
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Namemethyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12
InChIInChI=1S/C13H8Cl2N2O3/c1-19-13(18)8-4-2-3-7-11(15)16-12(17(7)8)9-5-6-10(14)20-9/h2-6H,1H3
InChIKeyFPIGATPWBOUWCF-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

1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250442
methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142734
1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridin-5-ol
CID 117250468
methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250231
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252289
1-chloro-3-(2-methylphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250730
1-chloro-3-(furan-2-yl)-5-methylimidazo[1,5-a]pyridine
CID 117250495
3-(2-fluorophenyl)-5-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250743
1-chloro-3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117250659
methyl 2-(5-chlorofuran-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
CID 117134866
methyl 2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carboxylate
CID 131521240
methyl 4-chloro-1-methylindole-2-carboxylate
CID 4777691

Frequently Asked Questions

What is the IUPAC name of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate (CID 117250443) is methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2c(Cl)nc(-c3ccc(Cl)o3)n12.
What is the InChIKey of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
The InChIKey is FPIGATPWBOUWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c1-19-13(18)8-4-2-3-7-11(15)16-12(17(7)8)9-5-6-10(14)20-9/h2-6H,1H3.
What are the key properties of methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-carboxylate?
methyl 1-chloro-3-(5-chlorofuran-2-yl)imidazo[1,5-a]pyridine-5-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-5-carboxylate is sourced from PubChem (CID 117250443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).