6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid

C17H13NO3 — CID 106903219

IUPAC6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H13NO3/c19-17(20)16-7-3-6-14(18-16)11-21-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H,19,20)
InChIKeyRAIMFVJWYNALKY-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.51
Rot. Bonds4

About 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid

6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 106903219) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID106903219
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(COc2ccc3ccccc3c2)n1
InChIInChI=1S/C17H13NO3/c19-17(20)16-7-3-6-14(18-16)11-21-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H,19,20)
InChIKeyRAIMFVJWYNALKY-UHFFFAOYSA-N
XLogP3.51
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (CID 106903219) is 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(COc2ccc3ccccc3c2)n1.
What is the InChIKey of 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is RAIMFVJWYNALKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)16-7-3-6-14(18-16)11-21-15-9-8-12-4-1-2-5-13(12)10-15/h1-10H,11H2,(H,19,20).
What are the key properties of 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 106903219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).