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

C18H15NO3 — CID 155146122

IUPAC4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1
InChIInChI=1S/C18H15NO3/c1-12-8-15(19-17(9-12)18(20)21)11-22-16-7-6-13-4-2-3-5-14(13)10-16/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOAGOSWGQLAOVCV-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.82
Rot. Bonds4

About 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid

4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 155146122) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID155146122
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1
InChIInChI=1S/C18H15NO3/c1-12-8-15(19-17(9-12)18(20)21)11-22-16-7-6-13-4-2-3-5-14(13)10-16/h2-10H,11H2,1H3,(H,20,21)
InChIKeyOAGOSWGQLAOVCV-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (CID 155146122) is 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is Cc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1.
What is the InChIKey of 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is OAGOSWGQLAOVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-8-15(19-17(9-12)18(20)21)11-22-16-7-6-13-4-2-3-5-14(13)10-16/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 155146122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).