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Chemical ID: 5779174
Chemical ID:
5779174
Name [?]:
2,5-dichloro-4,6-dimethyl-pyridine-3-carboxylic acid
SMILES [?]:
Cc1c(c(nc(c1Cl)C)Cl)C(=O)O
InChi [?]:
InChI=1/C8H7Cl2NO2/c1-3-5(8(12)13)7(10)11-4(2)6(3)9/h1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,2,6,3,7,4,11,8,10,5,12,13/E:(12,13)/rA:13nCCCCNCCClCClCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7Cl2NO2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.48514 |
Area: | 361.803 |
Solvation: | -1.55993 |
Coulombic: | -32.8654 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 220.052 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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