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

C15H19FN2O — CID 10801448

IUPAC2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-9-13(11(7-17)10-5-6-10)18-8-12(16)14(9)19-15(2,3)4/h8,10-11H,5-6H2,1-4H3
InChIKeyQPENLZSKZHZUNB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.72
Rot. Bonds3

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

2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (PubChem CID 10801448) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
PubChem CID10801448
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C
InChIInChI=1S/C15H19FN2O/c1-9-13(11(7-17)10-5-6-10)18-8-12(16)14(9)19-15(2,3)4/h8,10-11H,5-6H2,1-4H3
InChIKeyQPENLZSKZHZUNB-UHFFFAOYSA-N
XLogP3.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (CID 10801448) is 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is Cc1c(C(C#N)C2CC2)ncc(F)c1OC(C)(C)C.
What is the InChIKey of 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The InChIKey is QPENLZSKZHZUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9-13(11(7-17)10-5-6-10)18-8-12(16)14(9)19-15(2,3)4/h8,10-11H,5-6H2,1-4H3.
What are the key properties of 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile has a molecular weight of 262.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[5-fluoro-3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 10801448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).