5-(dimethylamino)pyridine-3-carboxylic acid

C8H10N2O2 — CID 2050105

IUPAC5-(dimethylamino)pyridine-3-carboxylic acid
SMILESCN(C)c1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5H,1-2H3,(H,11,12)
InChIKeyBZUPYORMYVQEMK-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds2

About 5-(dimethylamino)pyridine-3-carboxylic acid

5-(dimethylamino)pyridine-3-carboxylic acid (PubChem CID 2050105) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5-(dimethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(dimethylamino)pyridine-3-carboxylic acid
PubChem CID2050105
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5-(dimethylamino)pyridine-3-carboxylic acid
SMILESCN(C)c1cncc(C(=O)O)c1
InChIInChI=1S/C8H10N2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5H,1-2H3,(H,11,12)
InChIKeyBZUPYORMYVQEMK-UHFFFAOYSA-N
XLogP0.85
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(dimethylamino)pyridine-3-carboxylic acid (CID 2050105) is 5-(dimethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(dimethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(dimethylamino)pyridine-3-carboxylic acid is CN(C)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-(dimethylamino)pyridine-3-carboxylic acid?
The InChIKey is BZUPYORMYVQEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(2)7-3-6(8(11)12)4-9-5-7/h3-5H,1-2H3,(H,11,12).
What are the key properties of 5-(dimethylamino)pyridine-3-carboxylic acid?
5-(dimethylamino)pyridine-3-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 2050105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).