1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium

C8H13FN+ — CID 141175474

IUPAC1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
SMILESCC1=CC[N+](C)(F)C(C)=C1
InChIInChI=1S/C8H13FN/c1-7-4-5-10(3,9)8(2)6-7/h4,6H,5H2,1-3H3/q+1
InChIKeyRLEUVZXKEYCKGB-UHFFFAOYSA-N
MW142.20 g/mol
LogP2.18
Rot. Bonds

About 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium

1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium (PubChem CID 141175474) has the molecular formula C8H13FN+ and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium.

Molecular Properties

Compound Name1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
PubChem CID141175474
Molecular FormulaC8H13FN+
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
SMILESCC1=CC[N+](C)(F)C(C)=C1
InChIInChI=1S/C8H13FN/c1-7-4-5-10(3,9)8(2)6-7/h4,6H,5H2,1-3H3/q+1
InChIKeyRLEUVZXKEYCKGB-UHFFFAOYSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium?
The IUPAC name of 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium (CID 141175474) is 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium.
What is the SMILES notation for 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium?
The canonical SMILES for 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium is CC1=CC[N+](C)(F)C(C)=C1.
What is the InChIKey of 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium?
The InChIKey is RLEUVZXKEYCKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN/c1-7-4-5-10(3,9)8(2)6-7/h4,6H,5H2,1-3H3/q+1.
What are the key properties of 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium?
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium has a molecular weight of 142.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium is sourced from PubChem (CID 141175474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).