3-fluoro-2,2,5-trimethyl-3H-pyridine

C8H12FN — CID 123896833

IUPAC3-fluoro-2,2,5-trimethyl-3H-pyridine
SMILESCC1=CC(F)C(C)(C)N=C1
InChIInChI=1S/C8H12FN/c1-6-4-7(9)8(2,3)10-5-6/h4-5,7H,1-3H3
InChIKeyICBYMULIYXCNCH-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.13
Rot. Bonds

About 3-fluoro-2,2,5-trimethyl-3H-pyridine

3-fluoro-2,2,5-trimethyl-3H-pyridine (PubChem CID 123896833) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-fluoro-2,2,5-trimethyl-3H-pyridine.

Molecular Properties

Compound Name3-fluoro-2,2,5-trimethyl-3H-pyridine
PubChem CID123896833
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-fluoro-2,2,5-trimethyl-3H-pyridine
SMILESCC1=CC(F)C(C)(C)N=C1
InChIInChI=1S/C8H12FN/c1-6-4-7(9)8(2,3)10-5-6/h4-5,7H,1-3H3
InChIKeyICBYMULIYXCNCH-UHFFFAOYSA-N
XLogP2.13
TPSA12.36 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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,2,5-trimethyl-3H-pyridine?
The IUPAC name of 3-fluoro-2,2,5-trimethyl-3H-pyridine (CID 123896833) is 3-fluoro-2,2,5-trimethyl-3H-pyridine.
What is the SMILES notation for 3-fluoro-2,2,5-trimethyl-3H-pyridine?
The canonical SMILES for 3-fluoro-2,2,5-trimethyl-3H-pyridine is CC1=CC(F)C(C)(C)N=C1.
What is the InChIKey of 3-fluoro-2,2,5-trimethyl-3H-pyridine?
The InChIKey is ICBYMULIYXCNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-6-4-7(9)8(2,3)10-5-6/h4-5,7H,1-3H3.
What are the key properties of 3-fluoro-2,2,5-trimethyl-3H-pyridine?
3-fluoro-2,2,5-trimethyl-3H-pyridine has a molecular weight of 141.19 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,2,5-trimethyl-3H-pyridine is sourced from PubChem (CID 123896833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).