5-bromo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

5-bromo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

CAS: 1638763-74-2

Formula: C7H4BrN3O2

SMILES: OC(=O)C1=C2C(Br)=CNC2=NC=N1

IUPAC: 5-bromo-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylic acid

InChI: InChI=1S/C7H4BrN3O2/c8-3-1-9-6-4(3)5(7(12)13)10-2-11-6/h1-2H,(H,12,13)(H,9,10,11)

Composition: C (34.74%), H (1.67%), Br (33.01%), N (17.36%), O (13.22%)

Molar Mass: 242.032

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.948689
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	BUQMKBUEOFOPST-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.27
Topological Polar Surface Area	78.87
Polarizability	18.49
Ring Count	2
Rotatable Bond Count	1

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