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2-amino-3-chloro-5-(trifluoromethyl)pyridine-4-carbonitrile

2-amino-3-chloro-5-(trifluoromethyl)pyridine-4-carbonitrile

CAS: 1221572-26-4

Formula: C7H3ClF3N3

SMILES: NC1=C(Cl)C(C#N)=C(C=N1)C(F)(F)F

IUPAC: 2-amino-3-chloro-5-(trifluoromethyl)pyridine-4-carbonitrile

InChI: InChI=1S/C7H3ClF3N3/c8-5-3(1-12)4(7(9,10)11)2-14-6(5)13/h2H,(H2,13,14)

Composition: C (37.95%), H (1.36%), Cl (16.00%), F (25.72%), N (18.97%)

Molar Mass: 221.57

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 220.9967593
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SAXYKZDTWITQBF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.42
Topological Polar Surface Area 62.7
Polarizability 15.81
Ring Count 1
Rotatable Bond Count 1

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