cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate

C11H9N3O2 — CID 3192298

IUPACcyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1nc2ccccn2c1C(=O)OCC#N
InChIInChI=1S/C11H9N3O2/c1-8-10(11(15)16-7-5-12)14-6-3-2-4-9(14)13-8/h2-4,6H,7H2,1H3
InChIKeyIBLRXRCYPCOOIK-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.32
Rot. Bonds2

About cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate

cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 3192298) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namecyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID3192298
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Namecyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1nc2ccccn2c1C(=O)OCC#N
InChIInChI=1S/C11H9N3O2/c1-8-10(11(15)16-7-5-12)14-6-3-2-4-9(14)13-8/h2-4,6H,7H2,1H3
InChIKeyIBLRXRCYPCOOIK-UHFFFAOYSA-N
XLogP1.32
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 3192298) is cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate is Cc1nc2ccccn2c1C(=O)OCC#N.
What is the InChIKey of cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is IBLRXRCYPCOOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-8-10(11(15)16-7-5-12)14-6-3-2-4-9(14)13-8/h2-4,6H,7H2,1H3.
What are the key properties of cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate?
cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 3192298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).