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2-bromo-5-methylpyridine-4-carboxylic acid

2-bromo-5-methylpyridine-4-carboxylic acid

CAS: 1211535-59-9

Formula: C7H6BrNO2

SMILES: CC1=CN=C(Br)C=C1C(O)=O

IUPAC: 2-bromo-5-methylpyridine-4-carboxylic acid

InChI: InChI=1S/C7H6BrNO2/c1-4-3-9-6(8)2-5(4)7(10)11/h2-3H,1H3,(H,10,11)

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 214.958191
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VWCQENPTRUPNMG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.66
Topological Polar Surface Area 50.19
Polarizability 16.59
Ring Count 1
Rotatable Bond Count 1

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96% <2 Days 1211535-59-9 $221.95-$5,612.00$221.95$327.75$540.50$966.00$1,587.00$5,612.00
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