Chemical ID: 3893545

COCCNc1c(cccn1)C(=O)O
Chemical ID:
3893545
Name [?]:
2-(2-methoxyethylamino)pyridine-3-carboxylic acid
SMILES [?]:
COCCNc1c(cccn1)C(=O)O
InChi [?]:
InChI=1/C9H12N2O3/c1-14-6-5-11-8-7(9(12)13)3-2-4-10-8/h2-4H,5-6H2,1H3,(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,4,3,7,6,12,11,5,13,14,2/E:(12,13)/rA:14nCOCCNCCCCCNCOO/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s7;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.42361
Area:373.281
Solvation:-3.90843
Coulombic:-51.3277
Bond Count [?]
All:14
Single:10
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.203
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.21
LogP (Chemaxon):-1.01

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