1-(4-bromopyridin-2-yl)-3-ethylurea

1-(4-bromopyridin-2-yl)-3-ethylurea

CAS: 1031432-46-8

Formula: C8H10BrN3O

SMILES: CCNC(=O)NC1=CC(Br)=CC=N1

IUPAC: 1-(4-bromopyridin-2-yl)-3-ethylurea

InChI: InChI=1S/C8H10BrN3O/c1-2-10-8(13)12-7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H2,10,11,12,13)

Composition: C (39.37%), H (4.13%), Br (32.74%), N (17.22%), O (6.55%)

Molar Mass: 244.092

Atom Count: 23

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.000725
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	LHPFGBOKXFCNLJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.02
Topological Polar Surface Area	54.02
Polarizability	20.21
Ring Count	1
Rotatable Bond Count	2

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