4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

CAS: 1000340-35-1

Formula: C8H5BrN2O

SMILES: BrC1=C2C(C=O)=CNC2=NC=C1

IUPAC: 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

InChI: InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)

Composition: C (42.70%), H (2.24%), Br (35.51%), N (12.45%), O (7.11%)

Molar Mass: 225.045

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	223.958526
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GVJOYNDJFISGTG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.15
Topological Polar Surface Area	45.75
Polarizability	18.72
Ring Count	2
Rotatable Bond Count	1

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