3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid

C11H14N2O3 — CID 106203425

IUPAC3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1OCCC1CC1
InChIInChI=1S/C11H14N2O3/c12-9-8(11(14)15)3-5-13-10(9)16-6-4-7-1-2-7/h3,5,7H,1-2,4,6,12H2,(H,14,15)
InChIKeyFPHVOYDJQDDDND-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.54
Rot. Bonds5

About 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid

3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid (PubChem CID 106203425) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
PubChem CID106203425
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
SMILESNc1c(C(=O)O)ccnc1OCCC1CC1
InChIInChI=1S/C11H14N2O3/c12-9-8(11(14)15)3-5-13-10(9)16-6-4-7-1-2-7/h3,5,7H,1-2,4,6,12H2,(H,14,15)
InChIKeyFPHVOYDJQDDDND-UHFFFAOYSA-N
XLogP1.54
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid (CID 106203425) is 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid is Nc1c(C(=O)O)ccnc1OCCC1CC1.
What is the InChIKey of 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid?
The InChIKey is FPHVOYDJQDDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-9-8(11(14)15)3-5-13-10(9)16-6-4-7-1-2-7/h3,5,7H,1-2,4,6,12H2,(H,14,15).
What are the key properties of 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid?
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 106203425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).