-
Name
6-CHLORO-N-METHYL-NICOTINAMIDE
- EINECS
- CAS No. 54189-82-1
- Article Data16
- CAS DataBase
- Density 1.264 g/cm3
- Solubility
- Melting Point 152.8-153.4 °C(Solv: dichloromethane (75-09-2))
- Formula C7H7ClN2O
- Boiling Point 347.593 °C at 760 mmHg
- Molecular Weight 170.598
- Flash Point 164.019 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 2-Chloro-5-N-methylcarbamoylpyridine;2-Chloro-N-methyl-5-pyridinecarboxamide;6-Chloro-N-methyl-3-pyridinecarboxamide;6-Chloro-N-methylnicotinamide;
- PSA 41.99000
- LogP 1.48550
3-Pyridinecarboxamide,6-chloro-N-methyl- Specification
The 3-Pyridinecarboxamide,6-chloro-N-methyl-, with the CAS registry number 54189-82-1, is also called 6-chloro-N-methylnicotinamide. Its molecular formula is C7H7ClN2O and its molecular weight is 170.59628. Additionally, its systematic name is 6-chloro-N-methylpyridine-3-carboxamide.
Other characteristics of the 3-Pyridinecarboxamide,6-chloro-N-methyl- can be summarised as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 68; (8)ACD/KOC (pH 7.4): 68; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.99 Å2; (13)Index of Refraction: 1.548; (14)Molar Refractivity: 42.862 cm3; (15)Molar Volume: 134.954 cm3; (16)Polarizability: 16.992×10-24cm3; (17)Surface Tension: 45.464 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 164.019 °C; (20)Enthalpy of Vaporization: 59.189 kJ/mol; (21)Boiling Point: 347.593 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(NC)c1cnc(Cl)cc1
2.InChI: InChI=1/C7H7ClN2O/c1-9-7(11)5-2-3-6(8)10-4-5/h2-4H,1H3,(H,9,11)
3.InChIKey: DEYOMDZKXMQLCF-UHFFFAOYAV
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