methyl 6-pyridin-3-ylnaphthalene-2-carboxylate

C17H13NO2 — CID 11594132

IUPACmethyl 6-pyridin-3-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3
InChIKeyKEAMGKNBYBPPQH-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.69
Rot. Bonds2

About methyl 6-pyridin-3-ylnaphthalene-2-carboxylate

methyl 6-pyridin-3-ylnaphthalene-2-carboxylate (PubChem CID 11594132) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 6-pyridin-3-ylnaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyridin-3-ylnaphthalene-2-carboxylate
PubChem CID11594132
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namemethyl 6-pyridin-3-ylnaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(-c3cccnc3)ccc2c1
InChIInChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3
InChIKeyKEAMGKNBYBPPQH-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-pyridin-3-ylnaphthalene-2-carboxylate?
The IUPAC name of methyl 6-pyridin-3-ylnaphthalene-2-carboxylate (CID 11594132) is methyl 6-pyridin-3-ylnaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-pyridin-3-ylnaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-pyridin-3-ylnaphthalene-2-carboxylate is COC(=O)c1ccc2cc(-c3cccnc3)ccc2c1.
What is the InChIKey of methyl 6-pyridin-3-ylnaphthalene-2-carboxylate?
The InChIKey is KEAMGKNBYBPPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-20-17(19)15-7-6-12-9-14(5-4-13(12)10-15)16-3-2-8-18-11-16/h2-11H,1H3.
What are the key properties of methyl 6-pyridin-3-ylnaphthalene-2-carboxylate?
methyl 6-pyridin-3-ylnaphthalene-2-carboxylate has a molecular weight of 263.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pyridin-3-ylnaphthalene-2-carboxylate is sourced from PubChem (CID 11594132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).