methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate

C18H15NO3 — CID 25034347

IUPACmethyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,1-2H3
InChIKeyCBEZYLKPJKSBRY-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.70
Rot. Bonds3

About methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate

methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate (PubChem CID 25034347) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
PubChem CID25034347
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,1-2H3
InChIKeyCBEZYLKPJKSBRY-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate (CID 25034347) is methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate is COC(=O)c1cncc(-c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate?
The InChIKey is CBEZYLKPJKSBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-17-6-5-12-7-13(3-4-14(12)9-17)15-8-16(11-19-10-15)18(20)22-2/h3-11H,1-2H3.
What are the key properties of methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate?
methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 25034347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).