Chemical ID: 5149826

Cc1c(ccc(n1)C(=O)O)OC
Chemical ID:
5149826
Name [?]:
5-methoxy-6-methyl-pyridine-2-carboxylic acid
SMILES [?]:
Cc1c(ccc(n1)C(=O)O)OC
InChi [?]:
InChI=1/C8H9NO3/c1-5-7(12-2)4-3-6(9-5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,5,4,2,6,3,8,7,9,10,11/E:(10,11)/rA:12nCCCCCCNCOOOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s3;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H9NO3
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.25992
Area:326.376
Solvation:-2.89948
Coulombic:-40.6185
Bond Count [?]
All:12
Single:8
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.162
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-1.46
LogP (Chemaxon):-1.12

Name Annotations

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Descriptor Annotations

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