3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine

C9H14FN — CID 146669125

IUPAC3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
SMILESCCC1=C(F)C=C(C)N(C)C1
InChIInChI=1S/C9H14FN/c1-4-8-6-11(3)7(2)5-9(8)10/h5H,4,6H2,1-3H3
InChIKeyKYCSJZJJIYZZRU-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.47
Rot. Bonds1

About 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine

3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine (PubChem CID 146669125) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
PubChem CID146669125
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine
SMILESCCC1=C(F)C=C(C)N(C)C1
InChIInChI=1S/C9H14FN/c1-4-8-6-11(3)7(2)5-9(8)10/h5H,4,6H2,1-3H3
InChIKeyKYCSJZJJIYZZRU-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine?
The IUPAC name of 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine (CID 146669125) is 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine.
What is the SMILES notation for 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine?
The canonical SMILES for 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine is CCC1=C(F)C=C(C)N(C)C1.
What is the InChIKey of 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine?
The InChIKey is KYCSJZJJIYZZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN/c1-4-8-6-11(3)7(2)5-9(8)10/h5H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine?
3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine has a molecular weight of 155.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-1,6-dimethyl-2H-pyridine is sourced from PubChem (CID 146669125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).