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

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

CAS: 1190317-79-3

Formula: C8H7BrN2O

SMILES: COC1=CN=C2C(Br)=CNC2=C1

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

InChI: InChI=1S/C8H7BrN2O/c1-12-5-2-7-8(11-3-5)6(9)4-10-7/h2-4,10H,1H3

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	2
Asymmetric Atom Count	0
Exact Mass	225.974176
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	ONCNRXIIUGCZSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.7
Topological Polar Surface Area	37.91
Polarizability	19.94
Ring Count	2
Rotatable Bond Count	1

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