5-bromo-1H,5H,6H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

5-bromo-1H,5H,6H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

CAS: 757978-33-9

Formula: C8H7BrN2O

SMILES: BrC1CN=C2NC=C(C=O)C2=C1

IUPAC: 5-bromo-1H,5H,6H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

InChI: InChI=1/C8H7BrN2O/c9-6-1-7-5(4-12)2-10-8(7)11-3-6/h1-2,4,6H,3H2,(H,10,11)

Composition: C (42.32%), H (3.11%), Br (35.19%), N (12.34%), O (7.05%)

Molar Mass: 227.061

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.974176
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QFIHUWZHANIXQC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.94
Topological Polar Surface Area	41.46
Polarizability	18.29
Ring Count	2
Rotatable Bond Count	1

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