2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine

C11H16FNO — CID 163434443

IUPAC2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(F)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H16FNO/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,1-4H3
InChIKeyDWGHVTLLKKFFJI-UHFFFAOYSA-N
MW197.25 g/mol
LogP3.29
Rot. Bonds2

About 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine

2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 163434443) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID163434443
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCC(F)c1ccc(OC(C)(C)C)cn1
InChIInChI=1S/C11H16FNO/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,1-4H3
InChIKeyDWGHVTLLKKFFJI-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine (CID 163434443) is 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine is CC(F)c1ccc(OC(C)(C)C)cn1.
What is the InChIKey of 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is DWGHVTLLKKFFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-8(12)10-6-5-9(7-13-10)14-11(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine?
2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 197.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-5-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 163434443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).