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2-Picolinic Acid

CAT: 1596-AR-N08621-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N08621-03Size:50 Units
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CAS Number
98-98-6
Synonyms
Pyridine-2-carboxylic Acid
Molecular Formula
C6H5ClN2S
Molecular Weight
123.11
API Name
Nicotine

Chemical Information

Picolinic acid

Picolinic acid is a pyridinemonocarboxylic acid in which the carboxy group is located at position 2. It is an intermediate in the metabolism of tryptophan. It has a role as a MALDI matrix material and a human metabolite. It is a conjugate acid of a picolinate.

CAS Number98-98-6
PubChem CID1018
IUPAC Namepyridine-2-carboxylic acid
Molecular FormulaC6H5NO2
Molecular Weight123.11
XLogP0.8
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
C1=CC=NC(=C1)C(=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
InChIKey
SIOXPEMLGUPBBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Picolinic acid
CAS: 98-98-6
CID: 1018
Formula: C6H5NO2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass123.032028402
Monoisotopic Mass123.032028402
Topological Polar Surface Area50.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
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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