5-chloropyridin-3-amine

• ChemBase ID: 66719
• Molecular Formular: C5H5ClN2
• Molecular Mass: 128.5596
• Monoisotopic Mass: 128.01412585
• SMILES: c1c(cc(cn1)Cl)N
• Canonical SMILES: Nc1cncc(c1)Cl
• InChI: InChI=1S/C5H5ClN2/c6-4-1-5(7)3-8-2-4/h1-3H,7H2
• InChIKey: ZHMASVAJFJFFLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropyridin-3-amine
• IUPAC Traditional name: 5-chloropyridin-3-amine
• Synonyms: 3-Amino-5-chloropyridine; 5-Chloropyridin-3-amine; 5-Chloro-3-pyridinamine; 3-Amino-5-chloropyridine; 3-氨基-5-氯吡啶

Database IDs

• CAS Number: 22353-34-0
• MDL Number: MFCD03701386
• PubChem SID: 162032455
• PubChem CID: 818257

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.5223301
• LogD (pH = 7.4): 0.5305856
• Log P: 0.5306921
• Molar Refractivity: 33.4063 cm^3
• Polarizability: 12.473763 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 71-75°C; 71-75°C

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon; IRRITANT
• European Hazard Symbols: X
• Risk Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H312-H332-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95%; 95+%; 98%