CC1=C(C(=O)C=CN1CCCl)O
Nombre: 1-(2-chloroethyl)-3-hydroxy-2-methylpyridin-4-one
SMILES: CC1=C(C(=O)C=CN1CCCl)O

Molecular Processing

Molecular formula
C8H10ClNO2
Molecular weight
187.63
Exact mass
187.04
XLogP
1.1
TPSA
42.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
47.82

Supplementary Information

InChIKey: ZPMXJVIROZDADU-UHFFFAOYSA-N
Sinónimos
NSC354648SCHEMBL112256ZPMXJVIROZDADU-UHFFFAOYSA-NNSC-354648N-(2-chloroethyl)-2-methyl-3-hydroxy-4-pyridinone1-(2-chloroethyl)-3-hydroxy-2-methyl-pyridin-4-one1-(2-Chloroethyl)-3-hydroxy-2-methylpyridin-4(1H)-one
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