6-amino-5-bromopyridine-3-carboxylic acid

6-amino-5-bromopyridine-3-carboxylic acid

CAS: 180340-69-6

Formula: C6H5BrN2O2

SMILES: NC1=NC=C(C=C1Br)C(O)=O

IUPAC: 6-amino-5-bromopyridine-3-carboxylic acid

InChI: InChI=1S/C6H5BrN2O2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H2,8,9)(H,10,11)

Composition: C (33.21%), H (2.32%), Br (36.82%), N (12.91%), O (14.74%)

Molar Mass: 217.022

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.95344
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UOUDHTBHPQJUPS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.79
Topological Polar Surface Area	76.21
Polarizability	16.01
Ring Count	1
Rotatable Bond Count	1

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