potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate

C9H9FKNO2 — CID 141151507

IUPACpotassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(F)cn1.[K+]
InChIInChI=1S/C9H10FNO2.K/c1-9(2,8(12)13)7-4-3-6(10)5-11-7;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyXGSLWANROVKUCW-UHFFFAOYSA-M
MW221.27 g/mol
LogP-2.75
Rot. Bonds2

About potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate

potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate (PubChem CID 141151507) has the molecular formula C9H9FKNO2 and a molecular weight of 221.27 g/mol. Its IUPAC name is potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namepotassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate
PubChem CID141151507
Molecular FormulaC9H9FKNO2
Molecular Weight221.27 g/mol
Exact Mass221.03
IUPAC Namepotassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate
SMILESCC(C)(C(=O)[O-])c1ccc(F)cn1.[K+]
InChIInChI=1S/C9H10FNO2.K/c1-9(2,8(12)13)7-4-3-6(10)5-11-7;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyXGSLWANROVKUCW-UHFFFAOYSA-M
XLogP-2.75
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 5-2.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 85317
CID 85317
CID 85318
CID 85318
CID 2842210
CID 2842210
CID 74264
CID 74264
CID 75960
CID 75960
CID 60164443
CID 60164443
CID 10631894
CID 10631894
CID 411803
CID 411803
CID 60164444
CID 60164444
CID 3346835
CID 3346835
CID 13050105
CID 13050105
CID 14936493
CID 14936493

Frequently Asked Questions

What is the IUPAC name of potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate?
The IUPAC name of potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate (CID 141151507) is potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate?
The canonical SMILES for potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate is CC(C)(C(=O)[O-])c1ccc(F)cn1.[K+].
What is the InChIKey of potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate?
The InChIKey is XGSLWANROVKUCW-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10FNO2.K/c1-9(2,8(12)13)7-4-3-6(10)5-11-7;/h3-5H,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate?
potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate has a molecular weight of 221.27 g/mol, XLogP of -2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(5-fluoro-2-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 141151507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).