2-chloro-5-methylpyridin-3-amine

• ChemBase ID: 21950
• Molecular Formular: C6H7ClN2
• Molecular Mass: 142.58618
• Monoisotopic Mass: 142.02977591
• SMILES: c1(c(ncc(c1)C)Cl)N
• Canonical SMILES: Cc1cnc(c(c1)N)Cl
• InChI: InChI=1S/C6H7ClN2/c1-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
• InChIKey: CQKIBEOVARIBDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-methylpyridin-3-amine
• IUPAC Traditional name: 2-chloro-5-methylpyridin-3-amine
• Synonyms: 2-Chloro-5-methylpyridin-3-amine; 3-Amino-2-chloro-5-picoline; 3-Amino-2-chloro-5-methylpyridine; 3-Amino-2-chloro-5-methylpyridine; 2-Chloro-5-methylpyridin-3-amine; 5-甲基-3-氨基-2-氯吡啶

Database IDs

• CAS Number: 34552-13-1
• MDL Number: MFCD03427656
• PubChem SID: 160985257
• PubChem CID: 2734422

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.26416
• LogD (pH = 7.4): 1.264289
• Log P: 1.2642907
• Molar Refractivity: 39.5088 cm^3
• Polarizability: 14.275719 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 82-87°C; 86-91 °C

Safety Information

• Storage Warning: Harmful; IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-37/38-41
• Safety Statements: 26-36/37/39
• TSCA Listed: false
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Product Information

• Purity: 97%; 98%
• Empirical Formula (Hill Notation): C6H7ClN2

DETAILS

Sigma Aldrich - 701882

Packaging
5 g in glass bottle