[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylurea

[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylurea

CAS: 2062072-70-0

Formula: C8H7ClF3N3O

SMILES: NC(=O)NCC1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: {[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}urea

InChI: InChI=1S/C8H7ClF3N3O/c9-5-1-4(8(10,11)12)2-14-6(5)3-15-7(13)16/h1-2H,3H2,(H3,13,15,16)

Composition: C (37.89%), H (2.78%), Cl (13.98%), F (22.47%), N (16.57%), O (6.31%)

Molar Mass: 253.61

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.022974
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XIGHNGWXFYLELU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.75
Topological Polar Surface Area	68.01
Polarizability	18.86
Ring Count	1
Rotatable Bond Count	3

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