methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate

C18H15NO3 — CID 58553628

IUPACmethyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3ccc(OC)nc3)c2c1
InChIInChI=1S/C18H15NO3/c1-21-17-9-8-14(11-19-17)15-5-3-4-12-6-7-13(10-16(12)15)18(20)22-2/h3-11H,1-2H3
InChIKeyHXVZUUHQRRXUSR-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.70
Rot. Bonds3

About methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate

methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate (PubChem CID 58553628) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
PubChem CID58553628
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3ccc(OC)nc3)c2c1
InChIInChI=1S/C18H15NO3/c1-21-17-9-8-14(11-19-17)15-5-3-4-12-6-7-13(10-16(12)15)18(20)22-2/h3-11H,1-2H3
InChIKeyHXVZUUHQRRXUSR-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 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate (CID 58553628) is methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(-c3ccc(OC)nc3)c2c1.
What is the InChIKey of methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate?
The InChIKey is HXVZUUHQRRXUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-21-17-9-8-14(11-19-17)15-5-3-4-12-6-7-13(10-16(12)15)18(20)22-2/h3-11H,1-2H3.
What are the key properties of methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate?
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-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 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate is sourced from PubChem (CID 58553628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).