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Chemical ID: 3893545
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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