2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile

C15H13FN2O — CID 135293604

IUPAC2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile
SMILESCC(C)Oc1cncc(-c2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C15H13FN2O/c1-10(2)19-14-5-13(8-18-9-14)11-3-4-12(7-17)15(16)6-11/h3-6,8-10H,1-2H3
InChIKeySEXNSFNKPGYZTG-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.55
Rot. Bonds3

About 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile

2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile (PubChem CID 135293604) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile
PubChem CID135293604
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile
SMILESCC(C)Oc1cncc(-c2ccc(C#N)c(F)c2)c1
InChIInChI=1S/C15H13FN2O/c1-10(2)19-14-5-13(8-18-9-14)11-3-4-12(7-17)15(16)6-11/h3-6,8-10H,1-2H3
InChIKeySEXNSFNKPGYZTG-UHFFFAOYSA-N
XLogP3.55
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile (CID 135293604) is 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile is CC(C)Oc1cncc(-c2ccc(C#N)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile?
The InChIKey is SEXNSFNKPGYZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10(2)19-14-5-13(8-18-9-14)11-3-4-12(7-17)15(16)6-11/h3-6,8-10H,1-2H3.
What are the key properties of 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile?
2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-propan-2-yloxy-3-pyridinyl)benzonitrile is sourced from PubChem (CID 135293604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).