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1-(5-bromopyridin-2-yl)ethane-1,2-diol

1-(5-bromopyridin-2-yl)ethane-1,2-diol

CAS: 870694-34-1

Formula: C7H8BrNO2

SMILES: OCC(O)C1=NC=C(Br)C=C1

IUPAC: 1-(5-bromopyridin-2-yl)ethane-1,2-diol

InChI: InChI=1/C7H8BrNO2/c8-5-1-2-6(9-3-5)7(11)4-10/h1-3,7,10-11H,4H2

Composition: C (38.56%), H (3.70%), Br (36.64%), N (6.42%), O (14.67%)

Molar Mass: 218.05

Atom Count: 19

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 216.973842
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey ZUKXKQMJHYCHIU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.86
Topological Polar Surface Area 53.35
Polarizability 17.31
Ring Count 1
Rotatable Bond Count 2

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