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

C16H13ClN2O3 — CID 70227111

IUPAC[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate
SMILESCOC(=O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)22-10-11-7-14(12-3-2-4-13(17)8-12)15-18-5-6-19(15)9-11/h2-9H,10H2,1H3
InChIKeyMNPXBEGRITXRLC-UHFFFAOYSA-N
MW316.74 g/mol
LogP3.94
Rot. Bonds3

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

[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate (PubChem CID 70227111) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate
PubChem CID70227111
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate
SMILESCOC(=O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1
InChIInChI=1S/C16H13ClN2O3/c1-21-16(20)22-10-11-7-14(12-3-2-4-13(17)8-12)15-18-5-6-19(15)9-11/h2-9H,10H2,1H3
InChIKeyMNPXBEGRITXRLC-UHFFFAOYSA-N
XLogP3.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate?
The IUPAC name of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate (CID 70227111) is [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate.
What is the SMILES notation for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate?
The canonical SMILES for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate is COC(=O)OCc1cc(-c2cccc(Cl)c2)c2nccn2c1.
What is the InChIKey of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate?
The InChIKey is MNPXBEGRITXRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c1-21-16(20)22-10-11-7-14(12-3-2-4-13(17)8-12)15-18-5-6-19(15)9-11/h2-9H,10H2,1H3.
What are the key properties of [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate?
[8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate has a molecular weight of 316.74 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]methyl methyl carbonate is sourced from PubChem (CID 70227111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).