2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

C13H18FNO — CID 140972697

IUPAC2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1c(C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C13H18FNO/c1-8-11(9-5-6-9)15-7-10(14)12(8)16-13(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyZVIFWMXUKVMLRM-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.58
Rot. Bonds2

About 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine

2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (PubChem CID 140972697) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
PubChem CID140972697
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine
SMILESCc1c(C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C13H18FNO/c1-8-11(9-5-6-9)15-7-10(14)12(8)16-13(2,3)4/h7,9H,5-6H2,1-4H3
InChIKeyZVIFWMXUKVMLRM-UHFFFAOYSA-N
XLogP3.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The IUPAC name of 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine (CID 140972697) is 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The canonical SMILES for 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is Cc1c(C2CC2)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
The InChIKey is ZVIFWMXUKVMLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-8-11(9-5-6-9)15-7-10(14)12(8)16-13(2,3)4/h7,9H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine?
2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine has a molecular weight of 223.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]pyridine is sourced from PubChem (CID 140972697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).