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1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanamine

1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanamine

CAS: 771572-85-1

Formula: C7H6ClF3N2

SMILES: NCC1=C(Cl)N=C(C=C1)C(F)(F)F

IUPAC: 1-[2-chloro-6-(trifluoromethyl)pyridin-3-yl]methanamine

InChI: InChI=1S/C7H6ClF3N2/c8-6-4(3-12)1-2-5(13-6)7(9,10)11/h1-2H,3,12H2

Composition: C (39.93%), H (2.87%), Cl (16.83%), F (27.07%), N (13.30%)

Molar Mass: 210.58

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.0171604
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ZXXYRFCKVPZVQU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.84
Topological Polar Surface Area 38.91
Polarizability 16.06
Ring Count 1
Rotatable Bond Count 2

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