sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate

C14H19F2N2NaO4 — CID 158952287

IUPACsodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate
SMILESCO.COc1cncc(OC)c1.C[O-].Fc1cncc(F)c1.[Na+]
InChIInChI=1S/C7H9NO2.C5H3F2N.CH4O.CH3O.Na/c1-9-6-3-7(10-2)5-8-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h3-5H,1-2H3;1-3H;2H,1H3;1H3;/q;;;-1;+1
InChIKeyJLOSUZCACQJMHC-UHFFFAOYSA-N
MW340.30 g/mol
LogP-1.95
Rot. Bonds2

About sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate

sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate (PubChem CID 158952287) has the molecular formula C14H19F2N2NaO4 and a molecular weight of 340.30 g/mol. Its IUPAC name is sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate.

Molecular Properties

Compound Namesodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate
PubChem CID158952287
Molecular FormulaC14H19F2N2NaO4
Molecular Weight340.30 g/mol
Exact Mass340.12
IUPAC Namesodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate
SMILESCO.COc1cncc(OC)c1.C[O-].Fc1cncc(F)c1.[Na+]
InChIInChI=1S/C7H9NO2.C5H3F2N.CH4O.CH3O.Na/c1-9-6-3-7(10-2)5-8-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h3-5H,1-2H3;1-3H;2H,1H3;1H3;/q;;;-1;+1
InChIKeyJLOSUZCACQJMHC-UHFFFAOYSA-N
XLogP-1.95
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 5-1.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate?
The IUPAC name of sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate (CID 158952287) is sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate.
What is the SMILES notation for sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate?
The canonical SMILES for sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate is CO.COc1cncc(OC)c1.C[O-].Fc1cncc(F)c1.[Na+].
What is the InChIKey of sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate?
The InChIKey is JLOSUZCACQJMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C5H3F2N.CH4O.CH3O.Na/c1-9-6-3-7(10-2)5-8-4-6;6-4-1-5(7)3-8-2-4;2*1-2;/h3-5H,1-2H3;1-3H;2H,1H3;1H3;/q;;;-1;+1.
What are the key properties of sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate?
sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate has a molecular weight of 340.30 g/mol, XLogP of -1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;3,5-difluoropyridine;3,5-dimethoxypyridine;methanol;methanolate is sourced from PubChem (CID 158952287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).