CID 28105443
PubChem CID
28105443
Structure
Molecular Formula
Status
Non-live
Molecular Weight
305.73 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
3-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylate
InChI=1S/C15H15ClN2O3/c1-21-11-4-2-10(3-5-11)8-9-17-13-7-6-12(16)14(18-13)15(19)20/h2-7H,8-9H2,1H3,(H,17,18)(H,19,20)/p-1
ZLBVEYFTFPZMHO-UHFFFAOYSA-M
COC1=CC=C(C=C1)CCNC2=NC(=C(C=C2)Cl)C(=O)[O-]
C15H14ClN2O3-
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
305.73 g/mol
Property Name
XLogP3-AA
Property Value
4.2
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
305.0692950 g/mol
Property Name
Monoisotopic Mass
Property Value
305.0692950 g/mol
Property Name
Topological Polar Surface Area
Property Value
74.3 A^2
Property Name
Heavy Atom Count
Property Value
21
Property Name
Formal Charge
Property Value
-1
Property Name
Complexity
Property Value
329
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
CONTENTS