6-(but-2-enoylamino)pyridine-3-carboxylic acid

C10H10N2O3 — CID 78969127

IUPAC6-(but-2-enoylamino)pyridine-3-carboxylic acid
SMILESCC=CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H10N2O3/c1-2-3-9(13)12-8-5-4-7(6-11-8)10(14)15/h2-6H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPEHDJRHHVACODC-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.29
Rot. Bonds3

About 6-(but-2-enoylamino)pyridine-3-carboxylic acid

6-(but-2-enoylamino)pyridine-3-carboxylic acid (PubChem CID 78969127) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(but-2-enoylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(but-2-enoylamino)pyridine-3-carboxylic acid
PubChem CID78969127
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name6-(but-2-enoylamino)pyridine-3-carboxylic acid
SMILESCC=CC(=O)Nc1ccc(C(=O)O)cn1
InChIInChI=1S/C10H10N2O3/c1-2-3-9(13)12-8-5-4-7(6-11-8)10(14)15/h2-6H,1H3,(H,14,15)(H,11,12,13)
InChIKeyPEHDJRHHVACODC-UHFFFAOYSA-N
XLogP1.29
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(but-2-enoylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(but-2-enoylamino)pyridine-3-carboxylic acid (CID 78969127) is 6-(but-2-enoylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(but-2-enoylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(but-2-enoylamino)pyridine-3-carboxylic acid is CC=CC(=O)Nc1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(but-2-enoylamino)pyridine-3-carboxylic acid?
The InChIKey is PEHDJRHHVACODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-2-3-9(13)12-8-5-4-7(6-11-8)10(14)15/h2-6H,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 6-(but-2-enoylamino)pyridine-3-carboxylic acid?
6-(but-2-enoylamino)pyridine-3-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(but-2-enoylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 78969127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).