methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate

C18H15NO3 — CID 155153752

IUPACmethyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H15NO3/c1-21-18(20)17-8-4-7-15(19-17)12-22-16-10-9-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3
InChIKeyBRCCTZORIZQGTJ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.60
Rot. Bonds4

About methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate

methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate (PubChem CID 155153752) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate
PubChem CID155153752
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C18H15NO3/c1-21-18(20)17-8-4-7-15(19-17)12-22-16-10-9-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3
InChIKeyBRCCTZORIZQGTJ-UHFFFAOYSA-N
XLogP3.60
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate (CID 155153752) is methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate is COC(=O)c1cccc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate?
The InChIKey is BRCCTZORIZQGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-18(20)17-8-4-7-15(19-17)12-22-16-10-9-13-5-2-3-6-14(13)11-16/h2-11H,12H2,1H3.
What are the key properties of methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate?
methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 155153752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).