3-(2-fluorophenoxy)-1-oxidopyridin-1-ium

C11H8FNO2 — CID 54105304

IUPAC3-(2-fluorophenoxy)-1-oxidopyridin-1-ium
SMILES[O-][n+]1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C11H8FNO2/c12-10-5-1-2-6-11(10)15-9-4-3-7-13(14)8-9/h1-8H
InChIKeyNDIGRNJFASLSQR-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.25
Rot. Bonds2

About 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium

3-(2-fluorophenoxy)-1-oxidopyridin-1-ium (PubChem CID 54105304) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1-oxidopyridin-1-ium
PubChem CID54105304
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-(2-fluorophenoxy)-1-oxidopyridin-1-ium
SMILES[O-][n+]1cccc(Oc2ccccc2F)c1
InChIInChI=1S/C11H8FNO2/c12-10-5-1-2-6-11(10)15-9-4-3-7-13(14)8-9/h1-8H
InChIKeyNDIGRNJFASLSQR-UHFFFAOYSA-N
XLogP2.25
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-fluoro-2-phenoxybenzene
CID 170962676
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
1-fluoro-2-[3-[4-[4-[3-(2-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338576
1-oxido-3-(1,2,2,2-tetrafluoroethoxy)pyridin-1-ium
CID 102057541
1-oxido-3-prop-2-enoxypyridin-1-ium
CID 11701064
2-methyl-1-oxido-3-phenoxypyridin-1-ium
CID 14044046
2-fluoro-4-(2-fluorophenoxy)phenol
CID 165357625
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
4-tert-butyl-1-oxido-3-phenoxypyridin-1-ium
CID 14044066
2-chloro-1-fluoro-3-phenoxybenzene
CID 155282374
1-fluoro-2-(2-iodophenoxy)benzene
CID 11849671
7,18-dicyclohexyl-11,22-bis[(1-oxidopyridin-1-ium-3-yl)oxy]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2,4,9,11,13(23),14,16(24),20,25-decaene-6,8,17,19-tetrone
CID 57341696

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium?
The IUPAC name of 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium (CID 54105304) is 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium.
What is the SMILES notation for 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium?
The canonical SMILES for 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium is [O-][n+]1cccc(Oc2ccccc2F)c1.
What is the InChIKey of 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium?
The InChIKey is NDIGRNJFASLSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-10-5-1-2-6-11(10)15-9-4-3-7-13(14)8-9/h1-8H.
What are the key properties of 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium?
3-(2-fluorophenoxy)-1-oxidopyridin-1-ium has a molecular weight of 205.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1-oxidopyridin-1-ium is sourced from PubChem (CID 54105304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).