tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate

C13H16N2O3 — CID 135396821

IUPACtert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cn2cc(O)ccc2n1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)6-9-7-15-8-10(16)4-5-11(15)14-9/h4-5,7-8,16H,6H2,1-3H3
InChIKeyABCDWPDIGLCTCQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate

tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate (PubChem CID 135396821) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
PubChem CID135396821
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Nametert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1cn2cc(O)ccc2n1
InChIInChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)6-9-7-15-8-10(16)4-5-11(15)14-9/h4-5,7-8,16H,6H2,1-3H3
InChIKeyABCDWPDIGLCTCQ-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 131340084
propan-2-yl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate
CID 135394863
tert-butyl 2-(5-aminoimidazo[1,2-a]pyridin-2-yl)acetate
CID 135396090
2-(2-hydroxyethyl)imidazo[1,2-a]pyridin-6-ol
CID 115015092
tert-butyl 2-(8-aminoimidazo[1,2-a]pyridin-2-yl)acetate
CID 137347565
tert-butyl 3-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)piperidine-1-carboxylate
CID 130407265
1-(6-fluoroimidazo[1,2-a]pyridin-2-yl)propan-2-one
CID 135396946
tert-butyl N-acetyl-N-(6-methylimidazo[1,2-a]pyridin-2-yl)carbamate
CID 143527845
2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetonitrile
CID 131519071
2-[(2-bromophenyl)methyl]imidazo[1,2-a]pyridin-6-ol
CID 117130489
tert-butyl N-[(6-formylimidazo[1,2-a]pyridin-2-yl)methyl]carbamate
CID 155167684
tert-butyl N-[2-(6-aminoimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
CID 82184406

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate?
The IUPAC name of tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate (CID 135396821) is tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate.
What is the SMILES notation for tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate?
The canonical SMILES for tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate is CC(C)(C)OC(=O)Cc1cn2cc(O)ccc2n1.
What is the InChIKey of tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate?
The InChIKey is ABCDWPDIGLCTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(2,3)18-12(17)6-9-7-15-8-10(16)4-5-11(15)14-9/h4-5,7-8,16H,6H2,1-3H3.
What are the key properties of tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate?
tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate has a molecular weight of 248.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-hydroxyimidazo[1,2-a]pyridin-2-yl)acetate is sourced from PubChem (CID 135396821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).