ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate

C11H13N3O3 — CID 82355967

IUPACethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(CO)cccn2c1N
InChIInChI=1S/C11H13N3O3/c1-2-17-11(16)8-9(12)14-5-3-4-7(6-15)10(14)13-8/h3-5,15H,2,6,12H2,1H3
InChIKeyLCWBNMCMVRLMFX-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.59
Rot. Bonds3

About ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 82355967) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID82355967
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Nameethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2c(CO)cccn2c1N
InChIInChI=1S/C11H13N3O3/c1-2-17-11(16)8-9(12)14-5-3-4-7(6-15)10(14)13-8/h3-5,15H,2,6,12H2,1H3
InChIKeyLCWBNMCMVRLMFX-UHFFFAOYSA-N
XLogP0.59
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 3-amino-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82529177
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 3-iodo-8-nitroimidazo[1,2-a]pyridine-2-carboxylate
CID 53249809
[3-amino-2-(3-fluoro-4-methoxyphenyl)imidazo[1,2-a]pyridin-8-yl]methanol
CID 82355992
ethyl 8-bromo-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 171530852
ethyl 3-amino-6-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82055311
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
ethyl 3-(cyanomethyl)-8-fluoroimidazo[1,2-a]pyridine-2-carboxylate
CID 82529290
2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 155927218
ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 22672581
ethyl 3-bromo-8-[(2,6-dichlorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 57020246

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 82355967) is ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2c(CO)cccn2c1N.
What is the InChIKey of ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is LCWBNMCMVRLMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-2-17-11(16)8-9(12)14-5-3-4-7(6-15)10(14)13-8/h3-5,15H,2,6,12H2,1H3.
What are the key properties of ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 82355967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).