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6-(difluoromethyl)pyridine-3-carboxylic acid

6-(difluoromethyl)pyridine-3-carboxylic acid

CAS: 913091-98-2

Formula: C7H5F2NO2

SMILES: OC(=O)C1=CC=C(N=C1)C(F)F

IUPAC: 6-(difluoromethyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C7H5F2NO2/c8-6(9)5-2-1-4(3-10-5)7(11)12/h1-3,6H,(H,11,12)

Composition: C (48.57%), H (2.91%), F (21.95%), N (8.09%), O (18.48%)

Molar Mass: 173.119

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.028834731
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YRYYIHGIWKUSPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.89
Topological Polar Surface Area 50.19
Polarizability 13.33
Ring Count 1
Rotatable Bond Count 2

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98% <5 Days 913091-98-2 $88.27-$151.32$88.27$151.32
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