CC1=CN=C(C=N1)C(=O)O
CAS: 5521-55-1
الاسم: 5-methylpyrazine-2-carboxylic acid
SMILES: CC1=CN=C(C=N1)C(=O)O

Molecular Processing

Molecular formula
C6H6N2O2
Molecular weight
138.13
Exact mass
138.0429
XLogP
0.48
TPSA
63.08
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
33.73

Supplementary Information

InChIKey: RBYJWCRKFLGNDB-UHFFFAOYSA-N
مرادفات
5-Methylpyrazine-2-carboxylic Acid5521-55-15-Methyl-2-pyrazinecarboxylic acid2-Methylpyrazine-5-carboxylic acidPyrazinecarboxylic acid, 5-methyl-UNII-B861RS5NHIB861RS5NHI2-Pyrazinecarboxylic acid, 5-methyl-RBYJWCRKFLGNDB-UHFFFAOYSA-DTXSID10203707EC 413-260-9PARITAPREVIR METABOLITE M135-METHYL-2-PYRAZINOIC ACID5-METHYLPYRAZINE CARBOXYLIC ACIDRefChem:103129DTXCID00126198413-260-9611-241-1InChI=1/C6H6N2O2/c1-4-2-8-5(3-7-4)6(9)10/h2-3H,1H3,(H,9,10)RBYJWCRKFLGNDB-UHFFFAOYSA-N5-Methyl-pyrazine-2-carboxylic acidMFCD000682415-methylpyrazinecarboxylic acid2-Carboxy-5-methylpyrazine5-methyl pyrazine-2-carboxylic acidSCHEMBL89539CHEMBL126651orb3029365SCHEMBL20853601SCHEMBL27769408
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