3-bromo-5-(trifluoromethyl)pyridine-2-carbaldehyde

3-bromo-5-(trifluoromethyl)pyridine-2-carbaldehyde

CAS: 1227601-42-4

Formula: C7H3BrF3NO

SMILES: FC(F)(F)C1=CC(Br)=C(C=O)N=C1

IUPAC: 3-bromo-5-(trifluoromethyl)pyridine-2-carbaldehyde

InChI: InChI=1S/C7H3BrF3NO/c8-5-1-4(7(9,10)11)2-12-6(5)3-13/h1-3H

Composition: C (33.10%), H (1.19%), Br (31.46%), F (22.44%), N (5.51%), O (6.30%)

Molar Mass: 254.006

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.935011
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YQJSHHUAEQVWJY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.7
Topological Polar Surface Area	29.96
Polarizability	15.93
Ring Count	1
Rotatable Bond Count	2

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