Chem Methyl 2 Picolinate AlkaliMetal

Compound 198
  CheckMol                        TMF02:r0:m0
MF=C7H7NO2 MW=137.14
 10 10  0  1  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    0.7552   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    0.0236   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2743    2.2655   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8583    0.7787   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5604    3.0206   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0354    3.0206   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5486    4.5309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0472    4.5309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2389    5.2861   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6 02  0  1  0  0
  4  7 01  0  1  0  0
  6  8 01  0  1  0  0
  7  9 02  0  1  0  0
  8 10 02  0  1  0  0
  9 10 01  0  1  0  0
M  END

Methyl-2-Picolinate

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Chemical Name - Methyl-2-Picolinate
Mol Weight - 137.138
Smiles - COC(c1ncccc1)=O

Property Name	Property Value
Mol Name	Methyl-2-Picolinate
Molweight	137.138
Monoisotopic Mass	137.047679
Clogp	0.6257
Clogs	-0.986
H Acceptors	3
Total Surface Area	112.03
Relative Psa	0.30358
Polar Surface Area	39.19
Druglikeness	-3.6823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.7
Molecular Flexibility	0.41648
Molecular Complexity	0.65917
Fragments	1
Non H Atoms	10
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	2
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3 Atoms	2
Aromatic Nitrogens	1
Smiles	COC(c1ncccc1)=O
InChIKey	InChI=1S/C7H7NO2/c1-10-7(9)6-4-2-3-5-8-6/h2-5H,1H3
InChI	NMMIHXMBOZYNET-UHFFFAOYSA-N

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Methyl-2-Picolinate