6-(diethylamino)pyridine-3-carboxylic acid

C10H14N2O2 — CID 16772244

IUPAC6-(diethylamino)pyridine-3-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-3-12(4-2)9-6-5-8(7-11-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyJWNZJVCIBXXKGC-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.63
Rot. Bonds4

About 6-(diethylamino)pyridine-3-carboxylic acid

6-(diethylamino)pyridine-3-carboxylic acid (PubChem CID 16772244) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 6-(diethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(diethylamino)pyridine-3-carboxylic acid
PubChem CID16772244
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name6-(diethylamino)pyridine-3-carboxylic acid
SMILESCCN(CC)c1ccc(C(=O)O)cn1
InChIInChI=1S/C10H14N2O2/c1-3-12(4-2)9-6-5-8(7-11-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyJWNZJVCIBXXKGC-UHFFFAOYSA-N
XLogP1.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(diethylamino)pyridine-3-carboxylic acid (CID 16772244) is 6-(diethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(diethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(diethylamino)pyridine-3-carboxylic acid is CCN(CC)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(diethylamino)pyridine-3-carboxylic acid?
The InChIKey is JWNZJVCIBXXKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-3-12(4-2)9-6-5-8(7-11-9)10(13)14/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 6-(diethylamino)pyridine-3-carboxylic acid?
6-(diethylamino)pyridine-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 16772244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).