CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C(=O)O)[N+](=O)[O-]
CAS: 611226-09-6
Nom: 4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylic acid
SMILES: CNC1=C(C=C(C=C1)OC2=CC(=NC=C2)C(=O)O)[N+](=O)[O-]

Molecular Processing

Molecular formula
C13H11N3O5
Molecular weight
289.25
Exact mass
289.0699
XLogP
2.52
TPSA
114.59
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
73.91

Supplementary Information

InChIKey: TZISYNOQFCVJLC-UHFFFAOYSA-N
Synonymes
4-[4-(methylamino)-3-nitrophenoxy]pyridine-2-carboxylic acid611226-09-6SCHEMBL2886701DTXSID80621914TZISYNOQFCVJLC-UHFFFAOYSA-N4-[4-(methylamino)-3-nitrophenoxy]pyridine carboxylic acid4-(4-methylamino-3-nitro-phenoxy)-pyridine-2-carboxylic acid4-[4-(methylamino)-3-nitrophenoxy]-pyridine-2-carboxylic acid
Voir la source →
Impliqué dans 8 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→