2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid

C18H15NO3 — CID 25034490

IUPAC2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid
SMILESCOc1ccc2cc(-c3cncc(CC(=O)O)c3)ccc2c1
InChIInChI=1S/C18H15NO3/c1-22-17-5-4-13-8-14(2-3-15(13)9-17)16-6-12(7-18(20)21)10-19-11-16/h2-6,8-11H,7H2,1H3,(H,20,21)
InChIKeyQGVYOPLYDZQRNC-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.54
Rot. Bonds4

About 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid

2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid (PubChem CID 25034490) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid
PubChem CID25034490
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid
SMILESCOc1ccc2cc(-c3cncc(CC(=O)O)c3)ccc2c1
InChIInChI=1S/C18H15NO3/c1-22-17-5-4-13-8-14(2-3-15(13)9-17)16-6-12(7-18(20)21)10-19-11-16/h2-6,8-11H,7H2,1H3,(H,20,21)
InChIKeyQGVYOPLYDZQRNC-UHFFFAOYSA-N
XLogP3.54
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid (CID 25034490) is 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid is COc1ccc2cc(-c3cncc(CC(=O)O)c3)ccc2c1.
What is the InChIKey of 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid?
The InChIKey is QGVYOPLYDZQRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-17-5-4-13-8-14(2-3-15(13)9-17)16-6-12(7-18(20)21)10-19-11-16/h2-6,8-11H,7H2,1H3,(H,20,21).
What are the key properties of 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid?
2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-methoxynaphthalen-2-yl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 25034490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).