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4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

CAS: 956576-89-9

Formula: C7H4F3NO3

SMILES: OC(=O)C1=C(O)C=CN=C1C(F)(F)F

IUPAC: 4-hydroxy-2-(trifluoromethyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C7H4F3NO3/c8-7(9,10)5-4(6(13)14)3(12)1-2-11-5/h1-2H,(H,11,12)(H,13,14)

Composition: C (40.60%), H (1.95%), F (27.52%), N (6.76%), O (23.17%)

Molar Mass: 207.108

Atom Count: 18

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.014327482
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DJPMDWGFJXYJCZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 38.74
Topological Polar Surface Area 70.42
Polarizability 14.04
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS UnitPrice
95% <2 Days 956576-89-9 Quote Only