Chemical ID: 6680770

c1c(c[nH]c(=O)c1O)Cl
Chemical ID:
6680770
Name [?]:
5-chloro-3-hydroxy-1H-pyridin-2-one
SMILES [?]:
c1c(c[nH]c(=O)c1O)Cl
InChi [?]:
InChI=1/C5H4ClNO2/c6-3-1-4(8)5(9)7-2-3/h1-2,8H,(H,7,9)
InChi Info:
AuxInfo=1/1/N:1,3,2,7,5,9,4,8,6/rA:9nCCCNCOCOCl/rB:s1;d2;s3;s4;d5;d1s5;s7;s2;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H4ClNO2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:4.24091
Area:282.088
Solvation:-2.81129
Coulombic:-36.9868
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:145.544
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.77
LogP (Chemaxon):0.77

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue