(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid

C10H11BN2O4 — CID 167350393

IUPAC(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
SMILESCCOC(=O)c1cn2ccc(B(O)O)cc2n1
InChIInChI=1S/C10H11BN2O4/c1-2-17-10(14)8-6-13-4-3-7(11(15)16)5-9(13)12-8/h3-6,15-16H,2H2,1H3
InChIKeyDYWNUVNLARLJBX-UHFFFAOYSA-N
MW234.02 g/mol
LogP-0.81
Rot. Bonds3

About (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid

(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid (PubChem CID 167350393) has the molecular formula C10H11BN2O4 and a molecular weight of 234.02 g/mol. Its IUPAC name is (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid.

Molecular Properties

Compound Name(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
PubChem CID167350393
Molecular FormulaC10H11BN2O4
Molecular Weight234.02 g/mol
Exact Mass234.08
IUPAC Name(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid
SMILESCCOC(=O)c1cn2ccc(B(O)O)cc2n1
InChIInChI=1S/C10H11BN2O4/c1-2-17-10(14)8-6-13-4-3-7(11(15)16)5-9(13)12-8/h3-6,15-16H,2H2,1H3
InChIKeyDYWNUVNLARLJBX-UHFFFAOYSA-N
XLogP-0.81
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.02
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-methylimidazo[1,2-a]pyridin-7-yl)boronic acid
CID 142510514
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 5-(7-fluoroimidazo[1,2-a]pyridin-2-yl)-1-methylpyrazole-3-carboxylate
CID 66988702
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736
thietan-3-ylmethyl 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 166262248
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
[2-(N-(2-ethoxy-2-oxoethyl)anilino)-2-oxoethyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 33417738
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658

Frequently Asked Questions

What is the IUPAC name of (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid?
The IUPAC name of (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid (CID 167350393) is (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid.
What is the SMILES notation for (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid?
The canonical SMILES for (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid is CCOC(=O)c1cn2ccc(B(O)O)cc2n1.
What is the InChIKey of (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid?
The InChIKey is DYWNUVNLARLJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BN2O4/c1-2-17-10(14)8-6-13-4-3-7(11(15)16)5-9(13)12-8/h3-6,15-16H,2H2,1H3.
What are the key properties of (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid?
(2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid has a molecular weight of 234.02 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxycarbonylimidazo[1,2-a]pyridin-7-yl)boronic acid is sourced from PubChem (CID 167350393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).