2-bromo-3-methyl-4-(trifluoromethyl)pyridine

2-bromo-3-methyl-4-(trifluoromethyl)pyridine

CAS: 1448776-78-0

Formula: C7H5BrF3N

SMILES: CC1=C(C=CN=C1Br)C(F)(F)F

IUPAC: 2-bromo-3-methyl-4-(trifluoromethyl)pyridine

InChI: InChI=1S/C7H5BrF3N/c1-4-5(7(9,10)11)2-3-12-6(4)8/h2-3H,1H3

Composition: C (35.03%), H (2.10%), Br (33.29%), F (23.75%), N (5.84%)

Molar Mass: 240.023

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.955747
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	NLGQRIKZCZGAEU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.38
Topological Polar Surface Area	12.89
Polarizability	15.66
Ring Count	1
Rotatable Bond Count	1

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