potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane

C9H11ClKNO — CID 177012193

IUPACpotassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1[c-]cc(Cl)nc1.[K+]
InChIInChI=1S/C7H5ClNO.C2H6.K/c1-5(10)6-2-3-7(8)9-4-6;1-2;/h3-4H,1H3;1-2H3;/q-1;;+1
InChIKeyFWPBAHAZMHHRJO-UHFFFAOYSA-N
MW223.74 g/mol
LogP-0.23
Rot. Bonds1

About potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane

potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane (PubChem CID 177012193) has the molecular formula C9H11ClKNO and a molecular weight of 223.74 g/mol. Its IUPAC name is potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane.

Molecular Properties

Compound Namepotassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane
PubChem CID177012193
Molecular FormulaC9H11ClKNO
Molecular Weight223.74 g/mol
Exact Mass223.02
IUPAC Namepotassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane
SMILESCC.CC(=O)c1[c-]cc(Cl)nc1.[K+]
InChIInChI=1S/C7H5ClNO.C2H6.K/c1-5(10)6-2-3-7(8)9-4-6;1-2;/h3-4H,1H3;1-2H3;/q-1;;+1
InChIKeyFWPBAHAZMHHRJO-UHFFFAOYSA-N
XLogP-0.23
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.74
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane?
The IUPAC name of potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane (CID 177012193) is potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane.
What is the SMILES notation for potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane?
The canonical SMILES for potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane is CC.CC(=O)c1[c-]cc(Cl)nc1.[K+].
What is the InChIKey of potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane?
The InChIKey is FWPBAHAZMHHRJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO.C2H6.K/c1-5(10)6-2-3-7(8)9-4-6;1-2;/h3-4H,1H3;1-2H3;/q-1;;+1.
What are the key properties of potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane?
potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane has a molecular weight of 223.74 g/mol, XLogP of -0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1-(6-chloro-4H-pyridin-4-id-3-yl)ethanone;ethane is sourced from PubChem (CID 177012193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).