methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate

C15H17NO4 — CID 54444425

IUPACmethyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC23CC4CC2C3C4)c(OC)cn1
InChIInChI=1S/C15H17NO4/c1-18-13-7-16-11(14(17)19-2)5-12(13)20-15-6-8-3-9(15)10(15)4-8/h5,7-10H,3-4,6H2,1-2H3
InChIKeyWQMNPCCTNCYNFJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.05
Rot. Bonds4

About methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate

methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate (PubChem CID 54444425) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate
PubChem CID54444425
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(OC23CC4CC2C3C4)c(OC)cn1
InChIInChI=1S/C15H17NO4/c1-18-13-7-16-11(14(17)19-2)5-12(13)20-15-6-8-3-9(15)10(15)4-8/h5,7-10H,3-4,6H2,1-2H3
InChIKeyWQMNPCCTNCYNFJ-UHFFFAOYSA-N
XLogP2.05
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-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 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate?
The IUPAC name of methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate (CID 54444425) is methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate is COC(=O)c1cc(OC23CC4CC2C3C4)c(OC)cn1.
What is the InChIKey of methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate?
The InChIKey is WQMNPCCTNCYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-18-13-7-16-11(14(17)19-2)5-12(13)20-15-6-8-3-9(15)10(15)4-8/h5,7-10H,3-4,6H2,1-2H3.
What are the key properties of methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate?
methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-4-(1-tricyclo[2.2.1.02,6]heptanyloxy)pyridine-2-carboxylate is sourced from PubChem (CID 54444425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).