5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile

C15H20F2N2O — CID 20763708

IUPAC5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile
SMILESCC(CC#N)CCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H20F2N2O/c1-10(7-8-18)5-6-11-13(20-15(2,3)4)12(16)9-19-14(11)17/h9-10H,5-7H2,1-4H3
InChIKeyYHHXRUMXJQIOJY-UHFFFAOYSA-N
MW282.33 g/mol
LogP4.02
Rot. Bonds5

About 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile

5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile (PubChem CID 20763708) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile.

Molecular Properties

Compound Name5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile
PubChem CID20763708
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile
SMILESCC(CC#N)CCc1c(F)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H20F2N2O/c1-10(7-8-18)5-6-11-13(20-15(2,3)4)12(16)9-19-14(11)17/h9-10H,5-7H2,1-4H3
InChIKeyYHHXRUMXJQIOJY-UHFFFAOYSA-N
XLogP4.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile?
The IUPAC name of 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile (CID 20763708) is 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile.
What is the SMILES notation for 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile?
The canonical SMILES for 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile is CC(CC#N)CCc1c(F)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile?
The InChIKey is YHHXRUMXJQIOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10(7-8-18)5-6-11-13(20-15(2,3)4)12(16)9-19-14(11)17/h9-10H,5-7H2,1-4H3.
What are the key properties of 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile?
5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile has a molecular weight of 282.33 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-difluoro-4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methylpentanenitrile is sourced from PubChem (CID 20763708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).