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Chemical ID: 4122591
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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