2-methyl-1,8-naphthyridine

• ChemBase ID: 16207
• Molecular Formular: C9H8N2
• Molecular Mass: 144.17322
• Monoisotopic Mass: 144.06874827
• SMILES: c1cnc2c(c1)ccc(n2)C
• Canonical SMILES: Cc1ccc2c(n1)nccc2
• InChI: InChI=1S/C9H8N2/c1-7-4-5-8-3-2-6-10-9(8)11-7/h2-6H,1H3
• InChIKey: FSWRUYCICUXURT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,8-naphthyridine
• IUPAC Traditional name: 2-methyl-1,8-naphthyridine
• Synonyms: 2-Methyl-1,8-naphthyridine; 2-Methyl-[1,8]naphthyridine; 2-Methyl[1,8]-Naphthyridine; 2-Methyl-[1,8]naphthyridine

Database IDs

• CAS Number: 1569-16-0
• MDL Number: MFCD04066717
• PubChem SID: 160979514
• PubChem CID: 74073

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3695706
• LogD (pH = 7.4): 1.3696023
• Log P: 1.3696028
• Molar Refractivity: 43.9867 cm^3
• Polarizability: 17.166658 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 91-93°C; 96-97°C

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C9H8N2

DETAILS

Sigma Aldrich - ADE000831

Other Notes
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