C1=CC(=C(N=C1)N2C=C(C=C2C(=O)O)Br)[N+](=O)[O-]
Nom: 4-bromo-1-(3-nitro-2-pyridinyl)pyrrole-2-carboxylic acid
SMILES: C1=CC(=C(N=C1)N2C=C(C=C2C(=O)O)Br)[N+](=O)[O-]

Molecular Processing

Molecular formula
C10H6BrN3O4
Molecular weight
312.08
Exact mass
310.9542
XLogP
2.24
TPSA
98.26
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
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
Molar refractivity
64.88

Supplementary Information

InChIKey: OUNQJZPGRWWLOO-UHFFFAOYSA-N
Synonymes
SCHEMBL951586OUNQJZPGRWWLOO-UHFFFAOYSA-N4-bromo-1-(3-nitro-2-pyridinyl)-1H-pyrrole-2-carboxylic acid
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→