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3-bromo-4-methylpyridine

3-bromo-4-methylpyridine

CAS: 3430-22-6

Formula: C6H6BrN

SMILES: CC1=C(Br)C=NC=C1

IUPAC: 3-bromo-4-methylpyridine

InChI: InChI=1S/C6H6BrN/c1-5-2-3-8-4-6(5)7/h2-4H,1H3

Composition: C (41.89%), H (3.52%), Br (46.45%), N (8.14%)

Molar Mass: 172.025

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.968362
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey GSQZOLXWFQQJHJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 36.57
Topological Polar Surface Area 12.89
Polarizability 14.02
Ring Count 1
Rotatable Bond Count 0

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