ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate

C10H8BrIN2O2 — CID 171530837

IUPACethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cccn2c1I
InChIInChI=1S/C10H8BrIN2O2/c1-2-16-10(15)7-8(12)14-5-3-4-6(11)9(14)13-7/h3-5H,2H2,1H3
InChIKeyQJHQEPLAYPQNSE-UHFFFAOYSA-N
MW394.99 g/mol
LogP2.88
Rot. Bonds2

About ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 171530837) has the molecular formula C10H8BrIN2O2 and a molecular weight of 394.99 g/mol. Its IUPAC name is ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID171530837
Molecular FormulaC10H8BrIN2O2
Molecular Weight394.99 g/mol
Exact Mass393.88
IUPAC Nameethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(Br)cccn2c1I
InChIInChI=1S/C10H8BrIN2O2/c1-2-16-10(15)7-8(12)14-5-3-4-6(11)9(14)13-7/h3-5H,2H2,1H3
InChIKeyQJHQEPLAYPQNSE-UHFFFAOYSA-N
XLogP2.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.99
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 3-iodo-8-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 53249809
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 171530852
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82355967
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 4-[8-bromo-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridin-2-yl]-1-phenylpyrazole-3-carboxylate
CID 132838239
ethyl 3-benzoyl-8-bromo-6-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 10971097
ethyl 3-iodoimidazo[1,2-a]pyridine-8-carboxylate
CID 59588379
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 82529290

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate (CID 171530837) is ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(Br)cccn2c1I.
What is the InChIKey of ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is QJHQEPLAYPQNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrIN2O2/c1-2-16-10(15)7-8(12)14-5-3-4-6(11)9(14)13-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 394.99 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 171530837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).