Chemical ID: 4118681

c1cc(ncc1C(=O)O)F
Chemical ID:
4118681
Name [?]:
6-fluoropyridine-3-carboxylic acid
SMILES [?]:
c1cc(ncc1C(=O)O)F
InChi [?]:
InChI=1/C6H4FNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,7,10,4,8,9/E:(9,10)/rA:10nCCCNCCCOOF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4FNO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:4.45313
Area:276.834
Solvation:-2.46773
Coulombic:-36.6829
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:141.1
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.64
LogP (Chemaxon):0.85

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