5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid

C8H11N3O2 — CID 83024404

IUPAC5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
SMILESCN(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H11N3O2/c1-11(2)10-6-3-4-7(8(12)13)9-5-6/h3-5,10H,1-2H3,(H,12,13)
InChIKeyBFFLHSIQIZEMHE-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.67
Rot. Bonds3

About 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid

5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid (PubChem CID 83024404) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
PubChem CID83024404
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid
SMILESCN(C)Nc1ccc(C(=O)O)nc1
InChIInChI=1S/C8H11N3O2/c1-11(2)10-6-3-4-7(8(12)13)9-5-6/h3-5,10H,1-2H3,(H,12,13)
InChIKeyBFFLHSIQIZEMHE-UHFFFAOYSA-N
XLogP0.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-acetamidopyridine-2-carboxylic acid
CID 5278292
5-[2-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 115490686
5-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 104638856
5-(3-hydroxypropylamino)pyridine-2-carboxylic acid
CID 115490634
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638813
5-(sulfamoylamino)pyridine-2-carboxylic acid
CID 114958996
5-[(2-amino-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 104638701
5-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 104638820
5-(4-hydroxybutan-2-ylamino)pyridine-2-carboxylic acid
CID 83186758
5-(2-methylsulfonylethylamino)pyridine-2-carboxylic acid
CID 115490610
N',N'-dimethyl-5-(methylamino)pyridine-2-carbohydrazide
CID 104641981

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid (CID 83024404) is 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid is CN(C)Nc1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid?
The InChIKey is BFFLHSIQIZEMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)10-6-3-4-7(8(12)13)9-5-6/h3-5,10H,1-2H3,(H,12,13).
What are the key properties of 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid?
5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylhydrazinyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 83024404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).