Chemical ID: 4121168

c1cncc(c1C(=O)O)Cl
Chemical ID:
4121168
Name [?]:
3-chloropyridine-4-carboxylic acid
SMILES [?]:
c1cncc(c1C(=O)O)Cl
InChi [?]:
InChI=1/C6H4ClNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,4,6,5,7,10,3,8,9/E:(9,10)/rA:10nCCNCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H4ClNO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.23758
Area:293.206
Solvation:-2.09257
Coulombic:-31.4358
Bond Count [?]
All:10
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:157.554
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.01
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