potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate

C9H7KN2O3 — CID 154791898

IUPACpotassium 6-(prop-2-enoylamino)pyridine-2-carboxylate
SMILESC=CC(=O)Nc1cccc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C9H8N2O3.K/c1-2-8(12)11-7-5-3-4-6(10-7)9(13)14;/h2-5H,1H2,(H,13,14)(H,10,11,12);/q;+1/p-1
InChIKeyBNEWRDUWNMVFJF-UHFFFAOYSA-M
MW230.26 g/mol
LogP-3.43
Rot. Bonds3

About potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate

potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate (PubChem CID 154791898) has the molecular formula C9H7KN2O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namepotassium 6-(prop-2-enoylamino)pyridine-2-carboxylate
PubChem CID154791898
Molecular FormulaC9H7KN2O3
Molecular Weight230.26 g/mol
Exact Mass230.01
IUPAC Namepotassium 6-(prop-2-enoylamino)pyridine-2-carboxylate
SMILESC=CC(=O)Nc1cccc(C(=O)[O-])n1.[K+]
InChIInChI=1S/C9H8N2O3.K/c1-2-8(12)11-7-5-3-4-6(10-7)9(13)14;/h2-5H,1H2,(H,13,14)(H,10,11,12);/q;+1/p-1
InChIKeyBNEWRDUWNMVFJF-UHFFFAOYSA-M
XLogP-3.43
TPSA82.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-3.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate?
The IUPAC name of potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate (CID 154791898) is potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate.
What is the SMILES notation for potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate?
The canonical SMILES for potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate is C=CC(=O)Nc1cccc(C(=O)[O-])n1.[K+].
What is the InChIKey of potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate?
The InChIKey is BNEWRDUWNMVFJF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H8N2O3.K/c1-2-8(12)11-7-5-3-4-6(10-7)9(13)14;/h2-5H,1H2,(H,13,14)(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate?
potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate has a molecular weight of 230.26 g/mol, XLogP of -3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 6-(prop-2-enoylamino)pyridine-2-carboxylate is sourced from PubChem (CID 154791898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).