2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile

C14H11FN2O — CID 56604854

IUPAC2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1cccc(C(C#N)c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN2O/c1-18-14-4-2-3-13(17-14)12(9-16)10-5-7-11(15)8-6-10/h2-8,12H,1H3
InChIKeyMZHVXJPOKYLLCY-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.88
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile

2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile (PubChem CID 56604854) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile
PubChem CID56604854
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile
SMILESCOc1cccc(C(C#N)c2ccc(F)cc2)n1
InChIInChI=1S/C14H11FN2O/c1-18-14-4-2-3-13(17-14)12(9-16)10-5-7-11(15)8-6-10/h2-8,12H,1H3
InChIKeyMZHVXJPOKYLLCY-UHFFFAOYSA-N
XLogP2.88
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile (CID 56604854) is 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile is COc1cccc(C(C#N)c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile?
The InChIKey is MZHVXJPOKYLLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-18-14-4-2-3-13(17-14)12(9-16)10-5-7-11(15)8-6-10/h2-8,12H,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile?
2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile has a molecular weight of 242.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(6-methoxy-2-pyridinyl)acetonitrile is sourced from PubChem (CID 56604854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).