ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate

C10H10ClN3O2 — CID 82343002

IUPACethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(Cl)n2c1N
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8/h3-5H,2,12H2,1H3
InChIKeyLTGKDYRDFIYDAF-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.75
Rot. Bonds2

About ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 82343002) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID82343002
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Nameethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2cccc(Cl)n2c1N
InChIInChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8/h3-5H,2,12H2,1H3
InChIKeyLTGKDYRDFIYDAF-UHFFFAOYSA-N
XLogP1.75
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-bromo-5-methoxyimidazo[1,2-a]pyridine-2-carboxylate
CID 121229225
ethyl 5-amino-1-(2-chloro-6-methylphenyl)-2-methylimidazole-4-carboxylate
CID 66251247
ethyl 6-chloro-4-oxoquinolizine-3-carboxylate
CID 163320844
5-chloro-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 82342976
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
ethyl 5-bromo-2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 130113655
ethyl 6-methyl-3,5-dinitroimidazo[1,2-a]pyridine-2-carboxylate
CID 12558375
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-1-(3-chloro-2-pyridinyl)imidazole-4-carboxylate
CID 103094737

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate (CID 82343002) is ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2cccc(Cl)n2c1N.
What is the InChIKey of ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LTGKDYRDFIYDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-2-16-10(15)8-9(12)14-6(11)4-3-5-7(14)13-8/h3-5H,2,12H2,1H3.
What are the key properties of ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 239.66 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-chloroimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 82343002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).