2-bromo-3-iodopyridine-4-carboxylic acid

2-bromo-3-iodopyridine-4-carboxylic acid

CAS: 848243-29-8

Formula: C6H3BrINO2

SMILES: OC(=O)C1=C(I)C(Br)=NC=C1

IUPAC: 2-bromo-3-iodopyridine-4-carboxylic acid

InChI: InChI=1S/C6H3BrINO2/c7-5-4(8)3(6(10)11)1-2-9-5/h1-2H,(H,10,11)

Composition: C (21.98%), H (0.92%), Br (24.37%), I (38.70%), N (4.27%), O (9.76%)

Molar Mass: 327.903

Atom Count: 14

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	326.83919
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MCEFUWMDAAYELU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.98
Topological Polar Surface Area	50.19
Polarizability	20.46
Ring Count	1
Rotatable Bond Count	1

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