5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid

C17H13NO3 — CID 118428749

IUPAC5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc3ccccc23)cn1
InChIInChI=1S/C17H13NO3/c19-17(20)15-9-8-12(10-18-15)11-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-10H,11H2,(H,19,20)
InChIKeyIVFFXKAEXOMXIS-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.51
Rot. Bonds4

About 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid

5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid (PubChem CID 118428749) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
PubChem CID118428749
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc3ccccc23)cn1
InChIInChI=1S/C17H13NO3/c19-17(20)15-9-8-12(10-18-15)11-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-10H,11H2,(H,19,20)
InChIKeyIVFFXKAEXOMXIS-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

Analyze 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methoxyphenoxy)methyl]pyridine-2-carboxylic acid
CID 117213246
1-[4-(naphthalen-1-yloxymethyl)phenyl]ethanone
CID 134094222
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
4-(naphthalen-1-yloxymethyl)benzohydrazide
CID 948904
1-(naphthalen-2-ylmethoxy)naphthalene
CID 132511538
2-(3-naphthalen-1-yloxypropyl)-1,3-thiazole-4-carboxylic acid
CID 94760695
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
5,6-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 166479827
3-(isoquinolin-5-yloxymethyl)benzoic acid
CID 12902801
5-(naphthalen-1-yloxymethyl)furan-2-carboxylate
CID 3596350
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820
benzene;naphthalen-1-yloxymethanol
CID 70447137

Frequently Asked Questions

What is the IUPAC name of 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid (CID 118428749) is 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(COc2cccc3ccccc23)cn1.
What is the InChIKey of 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid?
The InChIKey is IVFFXKAEXOMXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c19-17(20)15-9-8-12(10-18-15)11-21-16-7-3-5-13-4-1-2-6-14(13)16/h1-10H,11H2,(H,19,20).
What are the key properties of 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid?
5-(naphthalen-1-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 5-(naphthalen-1-yloxymethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118428749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).