1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium

C9H13FNO2+ — CID 14897826

IUPAC1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium
SMILESCOCc1cccc(COC)[n+]1F
InChIInChI=1S/C9H13FNO2/c1-12-6-8-4-3-5-9(7-13-2)11(8)10/h3-5H,6-7H2,1-2H3/q+1
InChIKeyTXLUHXLQWJJSQL-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds4

About 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium

1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium (PubChem CID 14897826) has the molecular formula C9H13FNO2+ and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium.

Molecular Properties

Compound Name1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium
PubChem CID14897826
Molecular FormulaC9H13FNO2+
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium
SMILESCOCc1cccc(COC)[n+]1F
InChIInChI=1S/C9H13FNO2/c1-12-6-8-4-3-5-9(7-13-2)11(8)10/h3-5H,6-7H2,1-2H3/q+1
InChIKeyTXLUHXLQWJJSQL-UHFFFAOYSA-N
XLogP1.00
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyridinolcarbamate
CID 4990
2-Pyridinemethanol, 2-acetate
CID 13881
(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688213
6-Methyl-2-pyridylmethanol
CID 70736
2-(2-Ethoxyethyl)-6-methylpyridine
CID 251470
2,6-Pyridinedimethanol
CID 70957
(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine
CID 688211
2,6-Bis(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine
CID 343127
2,6-Bis(4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine
CID 500120
2-(Methoxymethyl)pyridine
CID 253220
1-(6-(1-Hydroxy-ethyl)-pyridin-2-YL)-ethanol
CID 4363597
Pyridine-2,6-diylbis(methylene) bis(methylcarbamate) hydrochloride
CID 6602723

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium?
The IUPAC name of 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium (CID 14897826) is 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium.
What is the SMILES notation for 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium?
The canonical SMILES for 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium is COCc1cccc(COC)[n+]1F.
What is the InChIKey of 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium?
The InChIKey is TXLUHXLQWJJSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FNO2/c1-12-6-8-4-3-5-9(7-13-2)11(8)10/h3-5H,6-7H2,1-2H3/q+1.
What are the key properties of 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium?
1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium has a molecular weight of 186.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,6-bis(methoxymethyl)pyridin-1-ium is sourced from PubChem (CID 14897826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).