2-(Naphthalen-1-yl)isonicotinic acid

Base Information

• Chemical Name: 2-(Naphthalen-1-yl)isonicotinic acid
• CAS No.: 100004-93-1
• Molecular Formula: C16H11 N O2
• Molecular Weight: 249.269
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID30540646
• Nikkaji Number: J2.817.909J
• Wikidata: Q82416713
• Mol file: 100004-93-1.mol

Synonyms:100004-93-1;2-(Naphthalen-1-yl)isonicotinic acid;2-naphthalen-1-ylpyridine-4-carboxylic acid;1,3-BIS(4-CARBOXYPYRIDIN-2-YL)BENZENE;2-(Naphthalen-1-yl)-isonicotinic acid;2-(Naphthalen-1-yl)pyridine-4-carboxylic acid;DTXSID30540646;2-(Naphthalen-1-yl)isonicotinicacid;MFCD17079072;4-Pyridinecarboxylic acid, 2-(1-naphthalenyl)-

Chemical Property of 2-(Naphthalen-1-yl)isonicotinic acid

Chemical Property:

• PSA: 100.38000
• LogP: 3.20700
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 249.078978594
• Heavy Atom Count: 19
• Complexity: 331

Purity/Quality:

97% ^*data from raw suppliers

2-(Naphthalen-1-yl)isonicotinicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NC=CC(=C3)C(=O)O

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