[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate

C15H11ClN2O3 — CID 68619199

IUPAC[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate
SMILESO=C(O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-1-2-11(7-12)13-6-10(9-21-15(19)20)8-18-5-4-17-14(13)18/h1-8H,9H2,(H,19,20)
InChIKeyAEQYUHGVGXPOTA-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.85
Rot. Bonds3

About [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate

[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate (PubChem CID 68619199) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate.

Molecular Properties

Compound Name[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate
PubChem CID68619199
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate
SMILESO=C(O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C15H11ClN2O3/c16-12-3-1-2-11(7-12)13-6-10(9-21-15(19)20)8-18-5-4-17-14(13)18/h1-8H,9H2,(H,19,20)
InChIKeyAEQYUHGVGXPOTA-UHFFFAOYSA-N
XLogP3.85
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate?
The IUPAC name of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate (CID 68619199) is [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate.
What is the SMILES notation for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate?
The canonical SMILES for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate is O=C(O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1.
What is the InChIKey of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate?
The InChIKey is AEQYUHGVGXPOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-12-3-1-2-11(7-12)13-6-10(9-21-15(19)20)8-18-5-4-17-14(13)18/h1-8H,9H2,(H,19,20).
What are the key properties of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate?
[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate has a molecular weight of 302.72 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl hydrogen carbonate is sourced from PubChem (CID 68619199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).