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

C14H17FN2O — CID 10705693

IUPAC2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCC(C)(C)Oc1cc(C(C#N)C2CC2)ncc1F
InChIInChI=1S/C14H17FN2O/c1-14(2,3)18-13-6-12(17-8-11(13)15)10(7-16)9-4-5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyNBLPGGUBIPOKCQ-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.42
Rot. Bonds3

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

2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (PubChem CID 10705693) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
PubChem CID10705693
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile
SMILESCC(C)(C)Oc1cc(C(C#N)C2CC2)ncc1F
InChIInChI=1S/C14H17FN2O/c1-14(2,3)18-13-6-12(17-8-11(13)15)10(7-16)9-4-5-9/h6,8-10H,4-5H2,1-3H3
InChIKeyNBLPGGUBIPOKCQ-UHFFFAOYSA-N
XLogP3.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.42
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-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The IUPAC name of 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile (CID 10705693) is 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is CC(C)(C)Oc1cc(C(C#N)C2CC2)ncc1F.
What is the InChIKey of 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
The InChIKey is NBLPGGUBIPOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-14(2,3)18-13-6-12(17-8-11(13)15)10(7-16)9-4-5-9/h6,8-10H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile?
2-cyclopropyl-2-[5-fluoro-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile has a molecular weight of 248.30 g/mol, XLogP of 3.42, 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-4-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]acetonitrile is sourced from PubChem (CID 10705693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).