ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid

C10H11ClN2O6S — CID 91757252

IUPACethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
SMILESCCOC(=O)c1cnc2c(Cl)cccn12.O=S(=O)(O)O
InChIInChI=1S/C10H9ClN2O2.H2O4S/c1-2-15-10(14)8-6-12-9-7(11)4-3-5-13(8)9;1-5(2,3)4/h3-6H,2H2,1H3;(H2,1,2,3,4)
InChIKeyJMNLOONCBXQRHA-UHFFFAOYSA-N
MW322.73 g/mol
LogP1.51
Rot. Bonds2

About ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid

ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid (PubChem CID 91757252) has the molecular formula C10H11ClN2O6S and a molecular weight of 322.73 g/mol. Its IUPAC name is ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid.

Molecular Properties

Compound Nameethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
PubChem CID91757252
Molecular FormulaC10H11ClN2O6S
Molecular Weight322.73 g/mol
Exact Mass322.00
IUPAC Nameethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid
SMILESCCOC(=O)c1cnc2c(Cl)cccn12.O=S(=O)(O)O
InChIInChI=1S/C10H9ClN2O2.H2O4S/c1-2-15-10(14)8-6-12-9-7(11)4-3-5-13(8)9;1-5(2,3)4/h3-6H,2H2,1H3;(H2,1,2,3,4)
InChIKeyJMNLOONCBXQRHA-UHFFFAOYSA-N
XLogP1.51
TPSA118.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 8-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
CID 90090238
3-ethoxycarbonylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 59588419
ethyl 8-tert-butylimidazo[1,2-a]pyridine-3-carboxylate
CID 166563440
ethyl 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 163342934
ethyl 8-chloro-2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 154582050
1-(8-chloroimidazo[1,2-a]pyridin-3-yl)propan-2-one
CID 83884133
methyl 8-aminoimidazo[1,2-a]pyridine-3-carboxylate
CID 131336795
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301
ethyl 1-[(2,6-dichlorophenyl)methyl]pyrrole-2-carboxylate
CID 105422030
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1H-imidazo[1,2-a]imidazole-5-carboxylate
CID 177179793

Frequently Asked Questions

What is the IUPAC name of ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid?
The IUPAC name of ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid (CID 91757252) is ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid.
What is the SMILES notation for ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid?
The canonical SMILES for ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid is CCOC(=O)c1cnc2c(Cl)cccn12.O=S(=O)(O)O.
What is the InChIKey of ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid?
The InChIKey is JMNLOONCBXQRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2.H2O4S/c1-2-15-10(14)8-6-12-9-7(11)4-3-5-13(8)9;1-5(2,3)4/h3-6H,2H2,1H3;(H2,1,2,3,4).
What are the key properties of ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid?
ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid has a molecular weight of 322.73 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-chloroimidazo[1,2-a]pyridine-3-carboxylate;sulfuric acid is sourced from PubChem (CID 91757252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).