2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid

C19H15NO5 — CID 57094274

IUPAC2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccnc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H15NO5/c21-17(19(22)23)16-6-3-9-20-18(16)25-11-10-24-15-8-7-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2,(H,22,23)
InChIKeyPNWYTHPCJOHQFB-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.96
Rot. Bonds7

About 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid

2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid (PubChem CID 57094274) has the molecular formula C19H15NO5 and a molecular weight of 337.33 g/mol. Its IUPAC name is 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid
PubChem CID57094274
Molecular FormulaC19H15NO5
Molecular Weight337.33 g/mol
Exact Mass337.10
IUPAC Name2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1cccnc1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C19H15NO5/c21-17(19(22)23)16-6-3-9-20-18(16)25-11-10-24-15-8-7-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2,(H,22,23)
InChIKeyPNWYTHPCJOHQFB-UHFFFAOYSA-N
XLogP2.96
TPSA85.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 173336218
2-naphthalen-2-yloxypyridine-3-carboxylic acid
CID 16784651
2-[3,5-dichloro-4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 19004330
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
4-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzoic acid
CID 22687818
2-[4-(3-naphthalen-2-yloxypropylsulfonyl)phenyl]-2-oxoacetic acid
CID 19004516
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
2-naphthalen-2-yloxyethyl formate
CID 54350487
1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
CID 19004540
2-methyl-2-[[1-(2-naphthalen-2-yloxyethoxy)naphthalene-2-carbonyl]amino]propanoic acid
CID 24768906

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid?
The IUPAC name of 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid (CID 57094274) is 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid.
What is the SMILES notation for 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid?
The canonical SMILES for 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid is O=C(O)C(=O)c1cccnc1OCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid?
The InChIKey is PNWYTHPCJOHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO5/c21-17(19(22)23)16-6-3-9-20-18(16)25-11-10-24-15-8-7-13-4-1-2-5-14(13)12-15/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid?
2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid has a molecular weight of 337.33 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid is sourced from PubChem (CID 57094274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).