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

C19H17NO3 — CID 155146158

IUPAC4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1
InChIInChI=1S/C19H17NO3/c1-2-13-9-16(20-18(10-13)19(21)22)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyVHVDKYSLVIBSHL-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.07
Rot. Bonds5

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

4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 155146158) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID155146158
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid
SMILESCCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1
InChIInChI=1S/C19H17NO3/c1-2-13-9-16(20-18(10-13)19(21)22)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-11H,2,12H2,1H3,(H,21,22)
InChIKeyVHVDKYSLVIBSHL-UHFFFAOYSA-N
XLogP4.07
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid (CID 155146158) is 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is CCc1cc(COc2ccc3ccccc3c2)nc(C(=O)O)c1.
What is the InChIKey of 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is VHVDKYSLVIBSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-13-9-16(20-18(10-13)19(21)22)12-23-17-8-7-14-5-3-4-6-15(14)11-17/h3-11H,2,12H2,1H3,(H,21,22).
What are the key properties of 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid?
4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(naphthalen-2-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 155146158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).