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Isonicotinic Acids - Substance Summary (SID 9649)

Heterocyclic acids that are derivatives of 4-pyridinecarboxylic acid (isonicotinic acid).


Drug and Chemical Information: (Total:1)         

  Chemical Classification
Heterocyclic Compounds
      Acids, Heterocyclic
            Isonicotinic Acids
      Heterocyclic Compounds, 1-Ring
            Pyridines
                  Isonicotinic Acids


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Data Source:   
Depositor: KEGG
External ID: C07446

Depositor-Supplied Synonyms: (Total: 3)
Sort:
ISONICOTINIC ACID
C07446
55-22-1


Properties Computed from Structure:
Molecular Weight123.1094 [g/mol]
Molecular FormulaC6H5NO2
XLogP30.4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count1
Exact Mass123.032028
MonoIsotopic Mass123.032028
Topological Polar Surface Area50.2
Heavy Atom Count9
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1


Descriptors Computed from Structure:
IUPAC Name: pyridine-4-carboxylic acid
Canonical SMILES: C1=CN=CC=C1C(=O)O
InChI: InChI=1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
InChIKey: TWBYWOBDOCUKOW-UHFFFAOYSA-N


Substance Information:
SID 9649   
Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 5922   
Create Date: 2004-09-16

Related Substances:
Same: 26 Links

Similar Substances: 402 Links


Depositor-Supplied Comments:
CAS: 55-22-1
ChEBI: 6032
Is a reactant or product of enzyme EC 3.-.-.-
     
Compound Displayed

2D

3D
Compound ID5922
Molecular Weight123.1094 [g/mol]
Molecular FormulaC6H5NO2
XLogP30.4
H-Bond Donor1
H-Bond Acceptor3


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