C1=CC(=CN=C1)C2=NC(=CC(=N2)Cl)C(F)(F)F
CAS: 204394-69-4
Name: 4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
SMILES: C1=CC(=CN=C1)C2=NC(=CC(=N2)Cl)C(F)(F)F

Molecular Processing

Molecular formula
C10H5ClF3N3
Molecular weight
259.62
Exact mass
259.0124
XLogP
3.21
TPSA
38.67
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
55.28

Supplementary Information

InChIKey: JHVGKOOKRVOCKZ-UHFFFAOYSA-N
Synonyme
4-chloro-2-(pyridin-3-yl)-6-(trifluoromethyl)pyrimidine204394-69-44-chloro-2-(3-pyridyl)-6-(trifluoromethyl)pyrimidineMFCD00140057C10H5ClF3N34-chloro-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine4-chloro-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidineSCHEMBL5483622EIA39469AKOS0051001308E-340SDB-305537CS-0258950EN300-718734-chloro-2-(3-pyridinyl)-6-trifluoromethylpyrimidine4-chloro-2-(3-pyridinyl)-6-trifluoromethyl-pyrimidineZ1143225137
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