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2-(4-bromo-1H-pyrazol-3-yl)pyridine

2-(4-bromo-1H-pyrazol-3-yl)pyridine

CAS: 166196-52-7

Formula: C8H6BrN3

SMILES: BrC1=CNN=C1C1=NC=CC=C1

IUPAC: 2-(4-bromo-1H-pyrazol-3-yl)pyridine

InChI: InChI=1S/C8H6BrN3/c9-6-5-11-12-8(6)7-3-1-2-4-10-7/h1-5H,(H,11,12)

Composition: C (42.88%), H (2.70%), Br (35.66%), N (18.75%)

Molar Mass: 224.061

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 222.97451
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IJIUJGQXEDRMIM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.6
Topological Polar Surface Area 41.57
Polarizability 19.94
Ring Count 2
Rotatable Bond Count 1

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