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5-bromo-2,3,3-trimethylpyrrolo[2,3-b]pyridine

5-bromo-2,3,3-trimethylpyrrolo[2,3-b]pyridine

CAS: 331777-85-6

Formula: C10H11BrN2

SMILES: CC1=NC2=NC=C(Br)C=C2C1(C)C

IUPAC: 5-bromo-2,3,3-trimethyl-3H-pyrrolo[2,3-b]pyridine

InChI: InChI=1S/C10H11BrN2/c1-6-10(2,3)8-4-7(11)5-12-9(8)13-6/h4-5H,1-3H3

Composition: C (50.23%), H (4.64%), Br (33.42%), N (11.72%)

Molar Mass: 239.116

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.010561
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AHSNZIUQJNPBDY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.46
Topological Polar Surface Area 25.25
Polarizability 21.39
Ring Count 2
Rotatable Bond Count 0

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