methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H10Cl2N2O2 — CID 24992858

IUPACmethyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1
InChIInChI=1S/C15H10Cl2N2O2/c1-21-15(20)10-3-5-14-18-13(8-19(14)7-10)9-2-4-11(16)12(17)6-9/h2-8H,1H3
InChIKeyLBZHYDWWACLLKV-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.09
Rot. Bonds2

About methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 24992858) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID24992858
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Namemethyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1
InChIInChI=1S/C15H10Cl2N2O2/c1-21-15(20)10-3-5-14-18-13(8-19(14)7-10)9-2-4-11(16)12(17)6-9/h2-8H,1H3
InChIKeyLBZHYDWWACLLKV-UHFFFAOYSA-N
XLogP4.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 24992858) is methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1.
What is the InChIKey of methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is LBZHYDWWACLLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-21-15(20)10-3-5-14-18-13(8-19(14)7-10)9-2-4-11(16)12(17)6-9/h2-8H,1H3.
What are the key properties of methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 321.16 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,4-dichlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 24992858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).