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885267-03-8

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Basic Information
CAS No.: 885267-03-8
Name: 2-Bromo-5-(cyclobutanoylamino)-pyridine
Molecular Structure:
Molecular Structure of 885267-03-8 (2-Bromo-5-(cyclobutanoylamino)-pyridine)
Formula: C10H11BrN2O
Molecular Weight: 255.11
Synonyms: N-(6-bromopyridin-3-yl)cyclobutanecarboxamide;2-Bromo-5-(cyclobutanoylamino)-pyridine;
Density: 1.604 g/cm3
Boiling Point: 426.9 °C at 760 mmHg
Flash Point: 212 °C
PSA: 41.99000
LogP: 2.65570
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Specification

The 2-Bromo-5-(cyclobutanoylamino)pyridine, with the CAS registry number 885267-03-8, has the systematic name of N-(6-bromopyridin-3-yl)cyclobutanecarboxamide. And the molecular formula of the chemical is C10H11BrN2O.

The characteristics of this chemical are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.41; (6)ACD/BCF (pH 7.4): 41.41; (7)ACD/KOC (pH 5.5): 500.17; (8)ACD/KOC (pH 7.4): 500.17; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 41.99 Å2; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 57.98 cm3; (15)Molar Volume: 158.9 cm3; (16)Polarizability: 22.98×10-24cm3; (17)Surface Tension: 65.6 dyne/cm; (18)Density: 1.604 g/cm3; (19)Flash Point: 212 °C; (20)Enthalpy of Vaporization: 68.17 kJ/mol; (21)Boiling Point: 426.9 °C at 760 mmHg; (22)Vapour Pressure: 1.71E-07 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc2ccc(NC(=O)C1CCC1)cn2
(2)InChI: InChI=1/C10H11BrN2O/c11-9-5-4-8(6-12-9)13-10(14)7-2-1-3-7/h4-7H,1-3H2,(H,13,14)
(3)InChIKey: KFXKOPHDHCVVJE-UHFFFAOYAE