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CID 60739868

PubChem CID
60739868
Structure
CID 60739868_small.png
Molecular Formula
Status
Non-live
Molecular Weight
301.2 g/mol
Dates
  • Create:
    2012-10-18

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 60739868.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3,6-dichloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C14H18Cl2N2O/c1-2-9-3-5-10(6-4-9)17-14(19)13-11(15)7-8-12(16)18-13/h7-10H,2-6H2,1H3,(H,17,19)

2.1.3 InChIKey

JGIOUWGRWKFTCM-UHFFFAOYSA-N

2.1.4 SMILES

CCC1CCC(CC1)NC(=O)C2=C(C=CC(=N2)Cl)Cl

2.2 Molecular Formula

C14H18Cl2N2O

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
301.2 g/mol
Property Name
XLogP3-AA
Property Value
4.7
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
300.0796186 g/mol
Property Name
Monoisotopic Mass
Property Value
300.0796186 g/mol
Property Name
Topological Polar Surface Area
Property Value
42 A^2
Property Name
Heavy Atom Count
Property Value
19
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
306
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

5 Information Sources

CONTENTS