ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate

C11H10Cl2N2O2 — CID 59280012

IUPACethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(C(Cl)Cl)nc12
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)7-4-3-5-15-6-8(9(12)13)14-10(7)15/h3-6,9H,2H2,1H3
InChIKeyJHCVREHWAYXGEK-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.99
Rot. Bonds3

About ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate

ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 59280012) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID59280012
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Nameethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(C(Cl)Cl)nc12
InChIInChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)7-4-3-5-15-6-8(9(12)13)14-10(7)15/h3-6,9H,2H2,1H3
InChIKeyJHCVREHWAYXGEK-UHFFFAOYSA-N
XLogP2.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 2-(4-formylphenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 58208423
ethyl 2-[4-(difluoromethyl)phenyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 58208449
ethyl 8-carbamoylimidazo[1,2-a]pyridine-2-carboxylate
CID 143716769
ethyl 2-[(2-methylimidazo[1,2-a]pyridine-8-carbonyl)amino]benzoate
CID 110704737
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 8-(chloromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 19701330
ethyl tetrazolo[1,5-a]pyridine-8-carboxylate
CID 102030693
CID 70300240
CID 70300240
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate (CID 59280012) is ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate is CCOC(=O)c1cccn2cc(C(Cl)Cl)nc12.
What is the InChIKey of ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is JHCVREHWAYXGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-2-17-11(16)7-4-3-5-15-6-8(9(12)13)14-10(7)15/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate?
ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 273.12 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dichloromethyl)imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 59280012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).