2-(dimethylamino)pyridine-4-carboxylic acid

C8H10N2O2 — CID 6484234

IUPAC2-(dimethylamino)pyridine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12)
InChIKeyONNSLUVHHJGCMH-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.85
Rot. Bonds2

About 2-(dimethylamino)pyridine-4-carboxylic acid

2-(dimethylamino)pyridine-4-carboxylic acid (PubChem CID 6484234) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(dimethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)pyridine-4-carboxylic acid
PubChem CID6484234
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(dimethylamino)pyridine-4-carboxylic acid
SMILESCN(C)c1cc(C(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12)
InChIKeyONNSLUVHHJGCMH-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 2-(dimethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(dimethylamino)pyridine-4-carboxylic acid (CID 6484234) is 2-(dimethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)pyridine-4-carboxylic acid is CN(C)c1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(dimethylamino)pyridine-4-carboxylic acid?
The InChIKey is ONNSLUVHHJGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(2)7-5-6(8(11)12)3-4-9-7/h3-5H,1-2H3,(H,11,12).
What are the key properties of 2-(dimethylamino)pyridine-4-carboxylic acid?
2-(dimethylamino)pyridine-4-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 2-(dimethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 6484234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).