3,5-difluoro-4-methoxy-1-methylpyridin-1-ium

C7H8F2NO+ — CID 73355638

IUPAC3,5-difluoro-4-methoxy-1-methylpyridin-1-ium
SMILESCOc1c(F)c[n+](C)cc1F
InChIInChI=1S/C7H8F2NO/c1-10-3-5(8)7(11-2)6(9)4-10/h3-4H,1-2H3/q+1
InChIKeyNTESWAWSDLAOEF-UHFFFAOYSA-N
MW160.14 g/mol
LogP0.80
Rot. Bonds1

About 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium

3,5-difluoro-4-methoxy-1-methylpyridin-1-ium (PubChem CID 73355638) has the molecular formula C7H8F2NO+ and a molecular weight of 160.14 g/mol. Its IUPAC name is 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium.

Molecular Properties

Compound Name3,5-difluoro-4-methoxy-1-methylpyridin-1-ium
PubChem CID73355638
Molecular FormulaC7H8F2NO+
Molecular Weight160.14 g/mol
Exact Mass160.06
IUPAC Name3,5-difluoro-4-methoxy-1-methylpyridin-1-ium
SMILESCOc1c(F)c[n+](C)cc1F
InChIInChI=1S/C7H8F2NO/c1-10-3-5(8)7(11-2)6(9)4-10/h3-4H,1-2H3/q+1
InChIKeyNTESWAWSDLAOEF-UHFFFAOYSA-N
XLogP0.80
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-methoxybenzenethiol
CID 50998081
5-bromo-1,3-difluoro-2-methoxybenzene
CID 2773287
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
2-[(E)-2-(3,5-difluoro-4-methoxyphenyl)ethenyl]-1,4-dimethylpyridin-1-ium
CID 172720636
5-bromo-1,3-difluoro-2-methoxybenzene;ethane
CID 144516394
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-bromo-4-fluoro-2,3-dimethoxybenzene
CID 58420229
(3,6-difluoro-2-methoxyphenyl) dihydroxy borate
CID 175492228
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
CID 151897513
CID 151897513
CID 21097811
CID 21097811

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium?
The IUPAC name of 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium (CID 73355638) is 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium.
What is the SMILES notation for 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium?
The canonical SMILES for 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium is COc1c(F)c[n+](C)cc1F.
What is the InChIKey of 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium?
The InChIKey is NTESWAWSDLAOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2NO/c1-10-3-5(8)7(11-2)6(9)4-10/h3-4H,1-2H3/q+1.
What are the key properties of 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium?
3,5-difluoro-4-methoxy-1-methylpyridin-1-ium has a molecular weight of 160.14 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-methoxy-1-methylpyridin-1-ium is sourced from PubChem (CID 73355638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).