Name: 6-CHLORO-N-METHYL-NICOTINAMIDE
SKU: 54189-82-1

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Basic Information

Molecular Structure:
CAS No.:	54189-82-1
Name:	6-CHLORO-N-METHYL-NICOTINAMIDE
Article Data:	16

Formula:	C₇H₇ClN₂O
Molecular Weight:	170.598
Synonyms:	2-Chloro-5-N-methylcarbamoylpyridine;2-Chloro-N-methyl-5-pyridinecarboxamide;6-Chloro-N-methyl-3-pyridinecarboxamide;6-Chloro-N-methylnicotinamide;
Density:	1.264 g/cm³
Melting Point:	152.8-153.4 °C(Solv: dichloromethane (75-09-2))
Boiling Point:	347.593 °C at 760 mmHg
Flash Point:	164.019 °C
PSA:	41.99000
LogP:	1.48550

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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