1-methoxypyridin-1-ium hexafluorophosphate

C6H8F6NOP — CID 21217332

IUPAC1-methoxypyridin-1-ium hexafluorophosphate
SMILESCO[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H8NO.F6P/c1-8-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H,1H3;/q+1;-1
InChIKeyRYHTUUMBTIPLNB-UHFFFAOYSA-N
MW255.10 g/mol
LogP3.41
Rot. Bonds1

About 1-methoxypyridin-1-ium hexafluorophosphate

1-methoxypyridin-1-ium hexafluorophosphate (PubChem CID 21217332) has the molecular formula C6H8F6NOP and a molecular weight of 255.10 g/mol. Its IUPAC name is 1-methoxypyridin-1-ium hexafluorophosphate.

Molecular Properties

Compound Name1-methoxypyridin-1-ium hexafluorophosphate
PubChem CID21217332
Molecular FormulaC6H8F6NOP
Molecular Weight255.10 g/mol
Exact Mass255.02
IUPAC Name1-methoxypyridin-1-ium hexafluorophosphate
SMILESCO[n+]1ccccc1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H8NO.F6P/c1-8-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H,1H3;/q+1;-1
InChIKeyRYHTUUMBTIPLNB-UHFFFAOYSA-N
XLogP3.41
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-methoxypyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139732586
1-methoxypyridin-1-ium;methyl sulfate
CID 18977228
1-methoxypyridin-1-ium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
CID 139732149
benzene;hydron;hexafluorophosphate
CID 157335526
(1-methoxypyridin-1-ium-4-yl)-phenylmethanone
CID 58571610
(1-methoxypyridin-1-ium-3-yl)-phenylmethanone
CID 58571661
1-(2-phenylpropan-2-yl)pyridin-1-ium hexafluorophosphate
CID 19887704
ruthenium dihexafluorophosphate
CID 175472696
pyridin-1-ium-1-yl trifluoromethanesulfonate
CID 13331982
3-benzhydryl-1-methoxypyridin-1-ium;methyl sulfate
CID 159982932
1-(4-phenylphenoxy)pyridin-1-ium
CID 139731389
pyridin-1-ium-1-yl N,N-dimethylcarbamate
CID 4073854

Frequently Asked Questions

What is the IUPAC name of 1-methoxypyridin-1-ium hexafluorophosphate?
The IUPAC name of 1-methoxypyridin-1-ium hexafluorophosphate (CID 21217332) is 1-methoxypyridin-1-ium hexafluorophosphate.
What is the SMILES notation for 1-methoxypyridin-1-ium hexafluorophosphate?
The canonical SMILES for 1-methoxypyridin-1-ium hexafluorophosphate is CO[n+]1ccccc1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-methoxypyridin-1-ium hexafluorophosphate?
The InChIKey is RYHTUUMBTIPLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO.F6P/c1-8-7-5-3-2-4-6-7;1-7(2,3,4,5)6/h2-6H,1H3;/q+1;-1.
What are the key properties of 1-methoxypyridin-1-ium hexafluorophosphate?
1-methoxypyridin-1-ium hexafluorophosphate has a molecular weight of 255.10 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyridin-1-ium hexafluorophosphate is sourced from PubChem (CID 21217332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).