4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile

C14H11FN2O — CID 135293536

IUPAC4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile
SMILESCCOc1cncc(-c2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C14H11FN2O/c1-2-18-13-5-12(8-17-9-13)10-3-4-11(7-16)14(15)6-10/h3-6,8-9H,2H2,1H3
InChIKeyQWGMHLJVSGXXTL-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.16
Rot. Bonds3

About 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile

4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile (PubChem CID 135293536) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile
PubChem CID135293536
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile
SMILESCCOc1cncc(-c2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C14H11FN2O/c1-2-18-13-5-12(8-17-9-13)10-3-4-11(7-16)14(15)6-10/h3-6,8-9H,2H2,1H3
InChIKeyQWGMHLJVSGXXTL-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile (CID 135293536) is 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile is CCOc1cncc(-c2ccc(C#N)c(F)c2)c1.
What is the InChIKey of 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile?
The InChIKey is QWGMHLJVSGXXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c1-2-18-13-5-12(8-17-9-13)10-3-4-11(7-16)14(15)6-10/h3-6,8-9H,2H2,1H3.
What are the key properties of 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile?
4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile has a molecular weight of 242.25 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethoxy-3-pyridinyl)-2-fluorobenzonitrile is sourced from PubChem (CID 135293536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).