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100859-32-3

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Basic Information
CAS No.: 100859-32-3
Name: 3-Chloropyridine-4-carboxamide
Molecular Structure:
Molecular Structure of 100859-32-3 (3-Chloropyridine-4-carboxamide)
Formula: C6H5ClN2O
Molecular Weight: 156.5697
Synonyms: 3-Chloropyridine-4-carboxamide;3-chloro-isonicotinic acid aMide
Density: 1.382 g/cm3
Boiling Point: 295.461 °C at 760 mmHg
Flash Point: 132.491 °C
PSA: 55.98000
LogP: 1.53420
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Specification

The 3-Chloropyridine-4-carboxamide has CAS registry number 100859-32-3. This chemical's molecular formula is C6H5ClN2O and molecular weight is 156.5697. What's more, its systematic name is 3-Chloropyridine-4-carboxamide.

Physical properties about 3-Chloropyridine-4-carboxamide are: (1)ACD/LogP: -0.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29; (8)ACD/KOC (pH 7.4): 29; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 38.17 cm3; (15)Molar Volume: 113.309 cm3; (16)Polarizability: 15.132×10-24 cm3; (17)Surface Tension: 57.282 dyne/cm; (18)Density: 1.382 g/cm3; (19)Flash Point: 132.491 °C; (20)Enthalpy of Vaporization: 53.517 kJ/mol; (21)Boiling Point: 295.461 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)c1ccncc1Cl
(2) InChI: InChI=1/C6H5ClN2O/c7-5-3-9-2-1-4(5)6(8)10/h1-3H,(H2,8,10)
(3) InChIKey: PPLLAHQNNDKXJU-UHFFFAOYAF