N-Methylnicotinic acid

Base Information

• Chemical Name: N-Methylnicotinic acid
• CAS No.: 7164-65-0
• Molecular Formula: C7H8NO2
• DSSTox Substance ID: DTXSID10859465
• Nikkaji Number: J6.346K,J221.568C
• Wikidata: Q27122098
• ChEMBL ID: CHEMBL1187085
• Mol file: 7164-65-0.mol

Synonyms:N-Methylnicotinic acid;3-carboxy-1-methylpyridinium;CHEBI:50521;1-methylpyridin-1-ium-3-carboxylic acid;SR-01000838861;1-methylnicotinic acid;Spectrum_000771;SpecPlus_000541;Prestwick3_000593;Spectrum2_000596;Spectrum3_000791;Spectrum4_001659;Spectrum5_000537;bmse000152;NCIOpen2_003241;BSPBio_000466;BSPBio_002522;KBioGR_002157;KBioSS_001251;DivK1c_006637;SCHEMBL679317;SPBio_000472;BPBio1_000514;CHEMBL1187085;KBio1_001581;KBio2_001251;KBio2_003819;KBio2_006387;KBio3_001742;WWNNZCOKKKDOPX-UHFFFAOYSA-;DTXSID10859465;3-Carboxy-1-methylpyridin-1-ium;s3220;7164-65-0;AC-907/25004677;SR-01000838861-3;SR-01000838861-4;Q27122098;Pyridinium, 3-carboxy-1-methyl-, hydroxide, inner salt (8CI);110407F8-19F1-4E98-9925-6B225E677E75

Chemical Property of N-Methylnicotinic acid

Chemical Property:

• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 138.055503498
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C[N+]1=CC=CC(=C1)C(=O)O