potassium;hydride;pyridin-2-yl cyclobutanecarboxylate

C10H12KNO2 — CID 175231447

IUPACpotassium;hydride;pyridin-2-yl cyclobutanecarboxylate
SMILESO=C(Oc1ccccn1)C1CCC1.[H-].[K+]
InChIInChI=1S/C10H11NO2.K.H/c12-10(8-4-3-5-8)13-9-6-1-2-7-11-9;;/h1-2,6-8H,3-5H2;;/q;+1;-1
InChIKeyIIHWFKFVGBKDGR-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.10
Rot. Bonds2

About potassium;hydride;pyridin-2-yl cyclobutanecarboxylate

potassium;hydride;pyridin-2-yl cyclobutanecarboxylate (PubChem CID 175231447) has the molecular formula C10H12KNO2 and a molecular weight of 217.31 g/mol. Its IUPAC name is potassium;hydride;pyridin-2-yl cyclobutanecarboxylate.

Molecular Properties

Compound Namepotassium;hydride;pyridin-2-yl cyclobutanecarboxylate
PubChem CID175231447
Molecular FormulaC10H12KNO2
Molecular Weight217.31 g/mol
Exact Mass217.05
IUPAC Namepotassium;hydride;pyridin-2-yl cyclobutanecarboxylate
SMILESO=C(Oc1ccccn1)C1CCC1.[H-].[K+]
InChIInChI=1S/C10H11NO2.K.H/c12-10(8-4-3-5-8)13-9-6-1-2-7-11-9;;/h1-2,6-8H,3-5H2;;/q;+1;-1
InChIKeyIIHWFKFVGBKDGR-UHFFFAOYSA-N
XLogP-1.10
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridin-2-yl cyclopropanecarboxylate
CID 135376948
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
(4-bromo-2-pyridinyl) cyclobutanecarboxylate
CID 175605072
(6-chloro-2-pyridinyl) cyclobutanecarboxylate
CID 174618359
dipyridin-2-yl bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 67291878
dipyridin-2-yl carbonate
CID 2757370
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
pyridin-2-yl 2-hydroxypiperidine-1-carboxylate
CID 175770002
pyridin-2-yl 2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2913239
N-(4-pyridin-2-yloxyphenyl)cyclopentanecarboxamide
CID 154837427
hydron;phenyl cycloheptanecarboxylate
CID 174768034
[(1R,5S)-3-bicyclo[3.1.0]hexanyl] pyridin-2-yl carbonate
CID 90132201

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;pyridin-2-yl cyclobutanecarboxylate?
The IUPAC name of potassium;hydride;pyridin-2-yl cyclobutanecarboxylate (CID 175231447) is potassium;hydride;pyridin-2-yl cyclobutanecarboxylate.
What is the SMILES notation for potassium;hydride;pyridin-2-yl cyclobutanecarboxylate?
The canonical SMILES for potassium;hydride;pyridin-2-yl cyclobutanecarboxylate is O=C(Oc1ccccn1)C1CCC1.[H-].[K+].
What is the InChIKey of potassium;hydride;pyridin-2-yl cyclobutanecarboxylate?
The InChIKey is IIHWFKFVGBKDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.K.H/c12-10(8-4-3-5-8)13-9-6-1-2-7-11-9;;/h1-2,6-8H,3-5H2;;/q;+1;-1.
What are the key properties of potassium;hydride;pyridin-2-yl cyclobutanecarboxylate?
potassium;hydride;pyridin-2-yl cyclobutanecarboxylate has a molecular weight of 217.31 g/mol, XLogP of -1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;pyridin-2-yl cyclobutanecarboxylate is sourced from PubChem (CID 175231447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).