CID 40475664
PubChem CID
40475664
Structure
Molecular Formula
Status
Non-live
Molecular Weight
296.22 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
6-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylate
InChI=1S/C14H10F3NO3/c15-14(16,17)11-4-1-9(2-5-11)7-18-8-10(13(20)21)3-6-12(18)19/h1-6,8H,7H2,(H,20,21)/p-1
YQPYIHMFARMRGV-UHFFFAOYSA-M
C1=CC(=CC=C1CN2C=C(C=CC2=O)C(=O)[O-])C(F)(F)F
C14H9F3NO3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
296.22 g/mol
Property Name
XLogP3-AA
Property Value
2.7
Property Name
Hydrogen Bond Donor Count
Property Value
0
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
296.05345264 g/mol
Property Name
Monoisotopic Mass
Property Value
296.05345264 g/mol
Property Name
Topological Polar Surface Area
Property Value
60.4 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
483
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS