ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate

C20H20Br2N6O4 — CID 139081191

IUPACethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)cc(N)c2n1.CCOC(=O)c1cn2cc(Br)cc(N)c2n1
InChIInChI=1S/2C10H10BrN3O2/c2*1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h2*3-5H,2,12H2,1H3
InChIKeyXIQCYMGSSUTTMM-UHFFFAOYSA-N
MW568.23 g/mol
LogP3.71
Rot. Bonds4

About ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate

ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 139081191) has the molecular formula C20H20Br2N6O4 and a molecular weight of 568.23 g/mol. Its IUPAC name is ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID139081191
Molecular FormulaC20H20Br2N6O4
Molecular Weight568.23 g/mol
Exact Mass565.99
IUPAC Nameethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)cc(N)c2n1.CCOC(=O)c1cn2cc(Br)cc(N)c2n1
InChIInChI=1S/2C10H10BrN3O2/c2*1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h2*3-5H,2,12H2,1H3
InChIKeyXIQCYMGSSUTTMM-UHFFFAOYSA-N
XLogP3.71
TPSA139.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.23
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

Ethyl 3-aminoimidazo[1,2-a]pyridine-2-carboxylate
CID 11084975
Ethyl imidazo[1,2-a]pyridine-2-carboxylate hydrobromide
CID 12382121
Ethyl 7-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-8-propylimidazo[1,2-c]pyrimidine-3-carboxylate
CID 11189011
7-[2-(6-Fluoro-pyridin-2-yl)-imidazol-1-ylmethyl]-8-propyl-imidazo[1,2-c]pyrimidine-2-carboxylic acid ethyl ester
CID 11361822
Ethyl imidazo[1,2-a]pyridine-2-carboxylate
CID 818807
Ethyl 6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 7141939
Ethyl 3-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 15152339
Ethyl 6-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 22031055
Ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 71458301
Ethyl 3-{[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]amino} imidazo[1,2-a]pyridine-2-carboxylate
CID 117967532
Ethyl 6-bromo-2-methylimidazo[1,2-A]pyridine-3-carboxylate
CID 12872594
Ethyl 2-aminoimidazo(1,2-a)pyridine-3-carboxylate
CID 15871473

Frequently Asked Questions

What is the IUPAC name of ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate (CID 139081191) is ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(Br)cc(N)c2n1.CCOC(=O)c1cn2cc(Br)cc(N)c2n1.
What is the InChIKey of ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is XIQCYMGSSUTTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10BrN3O2/c2*1-2-16-10(15)8-5-14-4-6(11)3-7(12)9(14)13-8/h2*3-5H,2,12H2,1H3.
What are the key properties of ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 568.23 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 139081191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).