Chemical ID: 4122591

c1c(c(nc(c1F)O)O)C#N
Chemical ID:
4122591
Name [?]:
5-fluoro-2,6-dihydroxy-pyridine-3-carbonitrile
SMILES [?]:
c1c(c(nc(c1F)O)O)C#N
InChi [?]:
InChI=1/C6H3FN2O2/c7-4-1-3(2-8)5(10)9-6(4)11/h1H,(H2,9,10,11)
InChi Info:
AuxInfo=1/1/N:1,10,2,6,3,5,7,11,4,9,8/rA:11nCCCNCCFOOCN/rB:s1;d2;s3;d4;d1s5;s6;s5;s3;s2;t10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H3FN2O2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.30431
Area:296.314
Solvation:-4.10355
Coulombic:-43.7494
Bond Count [?]
All:11
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:154.099
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.73
LogP (Chemaxon):1.52

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Descriptor Annotations

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