2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile

C10H11FN2O — CID 155665636

IUPAC2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile
SMILESCC(C)Oc1cc(F)cnc1CC#N
InChIInChI=1S/C10H11FN2O/c1-7(2)14-10-5-8(11)6-13-9(10)3-4-12/h5-7H,3H2,1-2H3
InChIKeyKQDJPRQXSVYLGB-UHFFFAOYSA-N
MW194.21 g/mol
LogP2.07
Rot. Bonds3

About 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile

2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile (PubChem CID 155665636) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile
PubChem CID155665636
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile
SMILESCC(C)Oc1cc(F)cnc1CC#N
InChIInChI=1S/C10H11FN2O/c1-7(2)14-10-5-8(11)6-13-9(10)3-4-12/h5-7H,3H2,1-2H3
InChIKeyKQDJPRQXSVYLGB-UHFFFAOYSA-N
XLogP2.07
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile (CID 155665636) is 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile is CC(C)Oc1cc(F)cnc1CC#N.
What is the InChIKey of 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile?
The InChIKey is KQDJPRQXSVYLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-7(2)14-10-5-8(11)6-13-9(10)3-4-12/h5-7H,3H2,1-2H3.
What are the key properties of 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile?
2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile has a molecular weight of 194.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-propan-2-yloxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 155665636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).