(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate

C16H11N3O2 — CID 18148882

IUPAC(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
SMILESN#Cc1c(COC(=O)c2ccccn2)cn2ccccc12
InChIInChI=1S/C16H11N3O2/c17-9-13-12(10-19-8-4-2-6-15(13)19)11-21-16(20)14-5-1-3-7-18-14/h1-8,10H,11H2
InChIKeyUNZURWATZVLQCT-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.56
Rot. Bonds3

About (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate

(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate (PubChem CID 18148882) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate.

Molecular Properties

Compound Name(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
PubChem CID18148882
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate
SMILESN#Cc1c(COC(=O)c2ccccn2)cn2ccccc12
InChIInChI=1S/C16H11N3O2/c17-9-13-12(10-19-8-4-2-6-15(13)19)11-21-16(20)14-5-1-3-7-18-14/h1-8,10H,11H2
InChIKeyUNZURWATZVLQCT-UHFFFAOYSA-N
XLogP2.56
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate?
The IUPAC name of (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate (CID 18148882) is (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate.
What is the SMILES notation for (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate?
The canonical SMILES for (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate is N#Cc1c(COC(=O)c2ccccn2)cn2ccccc12.
What is the InChIKey of (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate?
The InChIKey is UNZURWATZVLQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c17-9-13-12(10-19-8-4-2-6-15(13)19)11-21-16(20)14-5-1-3-7-18-14/h1-8,10H,11H2.
What are the key properties of (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate?
(1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyanoindolizin-2-yl)methyl pyridine-2-carboxylate is sourced from PubChem (CID 18148882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).