Chemical ID: 6048078

Cc1ccnc(c1C(=O)O)C
Chemical ID:
6048078
Name [?]:
2,4-dimethylpyridine-3-carboxylic acid
SMILES [?]:
Cc1ccnc(c1C(=O)O)C
InChi [?]:
InChI=1/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,3,4,2,6,7,8,5,9,10/E:(10,11)/rA:11nCCCCNCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.75546
Area:304.578
Solvation:-1.85898
Coulombic:-31.6178
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:151.163
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.14
LogP (Chemaxon):-1.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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