methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate

C15H12N2O3 — CID 15477166

IUPACmethyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)ccc1OCc1ccccc1
InChIInChI=1S/C15H12N2O3/c1-19-15(18)14-13(8-7-12(9-16)17-14)20-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3
InChIKeyLCAGSIZQIDYFFE-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.32
Rot. Bonds4

About methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate

methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate (PubChem CID 15477166) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate
PubChem CID15477166
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Namemethyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate
SMILESCOC(=O)c1nc(C#N)ccc1OCc1ccccc1
InChIInChI=1S/C15H12N2O3/c1-19-15(18)14-13(8-7-12(9-16)17-14)20-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3
InChIKeyLCAGSIZQIDYFFE-UHFFFAOYSA-N
XLogP2.32
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate (CID 15477166) is methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate is COC(=O)c1nc(C#N)ccc1OCc1ccccc1.
What is the InChIKey of methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate?
The InChIKey is LCAGSIZQIDYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-19-15(18)14-13(8-7-12(9-16)17-14)20-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3.
What are the key properties of methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate?
methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyano-3-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 15477166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).