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5-Hydroxy Flunixin

CAT: 1596-AR-F01688-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01688-02Size:25 Units
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CAS Number
75369-61-8
Synonyms
5-hydroxy-2- ((2-methyl-3- (trifluoromethyl) phenyl) amino) nicotinic acid;5-Hydroxy-2-[[2-methyl-3- (trifluoromethyl) phenyl]amino]-3-pyridinecarboxylic Acid
Molecular Formula
C14H11F3N2O3
Molecular Weight
312.25
API Name
Flunixin

Chemical Information

5-Hydroxy-2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid
CAS Number75369-61-8
PubChem CID12978215
IUPAC Name5-hydroxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Molecular FormulaC14H11F3N2O3
Molecular Weight312.24
XLogP3.7
Topological Polar Surface Area82.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity405
SMILES
CC1=C(C=CC=C1NC2=C(C=C(C=N2)O)C(=O)O)C(F)(F)F
InChI
InChI=1S/C14H11F3N2O3/c1-7-10(14(15,16)17)3-2-4-11(7)19-12-9(13(21)22)5-8(20)6-18-12/h2-6,20H,1H3,(H,18,19)(H,21,22)
InChIKey
JSXNJGKWSWRIGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxy-2-((2-methyl-3-(trifluoromethyl)phenyl)amino)-3-pyridinecarboxylic acid
CAS: 75369-61-8
CID: 12978215
Formula: C14H11F3N2O3
MW: 312.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.24
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass312.07217670
Monoisotopic Mass312.07217670
Topological Polar Surface Area82.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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279107-015-Hydroxy flunixin
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HY-W011340R5-Hydroxy flunixin (Standard)
436663-015-Hydroxy Flunixin Glucuronide
MBS6080390-015-Hydroxy Flunixin-d3
TRC-H942424-1MG5-Hydroxy Flunixin-d3 (Major)
KXB08854-015-Hydroxy flunixin-D3see H942424
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