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4-amino-5-bromopyridine-2-carboxylic acid

4-amino-5-bromopyridine-2-carboxylic acid

CAS: 1363381-01-4

Formula: C6H5BrN2O2

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

IUPAC: 4-amino-5-bromopyridine-2-carboxylic acid

InChI: InChI=1S/C6H5BrN2O2/c7-3-2-9-5(6(10)11)1-4(3)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 KHUNMLWXXVKEDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.11
Topological Polar Surface Area 76.21
Polarizability 16.01
Ring Count 1
Rotatable Bond Count 1

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