2-fluoro-1,4,6-trimethyl-2H-pyridine

C8H12FN — CID 150620231

IUPAC2-fluoro-1,4,6-trimethyl-2H-pyridine
SMILESCC1=CC(F)N(C)C(C)=C1
InChIInChI=1S/C8H12FN/c1-6-4-7(2)10(3)8(9)5-6/h4-5,8H,1-3H3
InChIKeyIVSZFIQWCILNBD-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.08
Rot. Bonds

About 2-fluoro-1,4,6-trimethyl-2H-pyridine

2-fluoro-1,4,6-trimethyl-2H-pyridine (PubChem CID 150620231) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-fluoro-1,4,6-trimethyl-2H-pyridine.

Molecular Properties

Compound Name2-fluoro-1,4,6-trimethyl-2H-pyridine
PubChem CID150620231
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name2-fluoro-1,4,6-trimethyl-2H-pyridine
SMILESCC1=CC(F)N(C)C(C)=C1
InChIInChI=1S/C8H12FN/c1-6-4-7(2)10(3)8(9)5-6/h4-5,8H,1-3H3
InChIKeyIVSZFIQWCILNBD-UHFFFAOYSA-N
XLogP2.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4,6-trimethyl-2H-pyridine?
The IUPAC name of 2-fluoro-1,4,6-trimethyl-2H-pyridine (CID 150620231) is 2-fluoro-1,4,6-trimethyl-2H-pyridine.
What is the SMILES notation for 2-fluoro-1,4,6-trimethyl-2H-pyridine?
The canonical SMILES for 2-fluoro-1,4,6-trimethyl-2H-pyridine is CC1=CC(F)N(C)C(C)=C1.
What is the InChIKey of 2-fluoro-1,4,6-trimethyl-2H-pyridine?
The InChIKey is IVSZFIQWCILNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-4-7(2)10(3)8(9)5-6/h4-5,8H,1-3H3.
What are the key properties of 2-fluoro-1,4,6-trimethyl-2H-pyridine?
2-fluoro-1,4,6-trimethyl-2H-pyridine has a molecular weight of 141.19 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4,6-trimethyl-2H-pyridine is sourced from PubChem (CID 150620231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).