2-(ethylamino)pyridine-4-carboxylic acid

C8H10N2O2 — CID 23454818

IUPAC2-(ethylamino)pyridine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-2-9-7-5-6(8(11)12)3-4-10-7/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyHFGOWYHBNSTZBF-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.21
Rot. Bonds3

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

2-(ethylamino)pyridine-4-carboxylic acid (PubChem CID 23454818) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(ethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(ethylamino)pyridine-4-carboxylic acid
PubChem CID23454818
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(ethylamino)pyridine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)ccn1
InChIInChI=1S/C8H10N2O2/c1-2-9-7-5-6(8(11)12)3-4-10-7/h3-5H,2H2,1H3,(H,9,10)(H,11,12)
InChIKeyHFGOWYHBNSTZBF-UHFFFAOYSA-N
XLogP1.21
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(ethylamino)pyridine-4-carboxylic acid (CID 23454818) is 2-(ethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(ethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(ethylamino)pyridine-4-carboxylic acid is CCNc1cc(C(=O)O)ccn1.
What is the InChIKey of 2-(ethylamino)pyridine-4-carboxylic acid?
The InChIKey is HFGOWYHBNSTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-2-9-7-5-6(8(11)12)3-4-10-7/h3-5H,2H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(ethylamino)pyridine-4-carboxylic acid?
2-(ethylamino)pyridine-4-carboxylic acid has a molecular weight of 166.18 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 23454818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).