potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride

C14H16ClFKN3O2 — CID 174144733

IUPACpotassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
SMILESCOc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1.[H-].[K+]
InChIInChI=1S/C14H15ClFN3O2.K.H/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12;;/h6-8,12H,2-5H2,1H3;;/q;+1;-1
InChIKeyUELKGBSBUMNXGR-UHFFFAOYSA-N
MW351.85 g/mol
LogP0.56
Rot. Bonds3

About potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride

potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride (PubChem CID 174144733) has the molecular formula C14H16ClFKN3O2 and a molecular weight of 351.85 g/mol. Its IUPAC name is potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride.

Molecular Properties

Compound Namepotassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
PubChem CID174144733
Molecular FormulaC14H16ClFKN3O2
Molecular Weight351.85 g/mol
Exact Mass351.06
IUPAC Namepotassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride
SMILESCOc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1.[H-].[K+]
InChIInChI=1S/C14H15ClFN3O2.K.H/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12;;/h6-8,12H,2-5H2,1H3;;/q;+1;-1
InChIKeyUELKGBSBUMNXGR-UHFFFAOYSA-N
XLogP0.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.85
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride?
The IUPAC name of potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride (CID 174144733) is potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride.
What is the SMILES notation for potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride?
The canonical SMILES for potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride is COc1nc(Cl)cc(F)c1-c1cnn(C2CCCCO2)c1.[H-].[K+].
What is the InChIKey of potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride?
The InChIKey is UELKGBSBUMNXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2.K.H/c1-20-14-13(10(16)6-11(15)18-14)9-7-17-19(8-9)12-4-2-3-5-21-12;;/h6-8,12H,2-5H2,1H3;;/q;+1;-1.
What are the key properties of potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride?
potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride has a molecular weight of 351.85 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;6-chloro-4-fluoro-2-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine;hydride is sourced from PubChem (CID 174144733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).