4-(5-fluoro-3-pyridinyl)but-3-enenitrile

C9H7FN2 — CID 170799127

IUPAC4-(5-fluoro-3-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1cncc(F)c1
InChIInChI=1S/C9H7FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h1,3,5-7H,2H2
InChIKeyRTNUOOXZLDSQCO-UHFFFAOYSA-N
MW162.17 g/mol
LogP2.15
Rot. Bonds2

About 4-(5-fluoro-3-pyridinyl)but-3-enenitrile

4-(5-fluoro-3-pyridinyl)but-3-enenitrile (PubChem CID 170799127) has the molecular formula C9H7FN2 and a molecular weight of 162.17 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)but-3-enenitrile.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)but-3-enenitrile
PubChem CID170799127
Molecular FormulaC9H7FN2
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Name4-(5-fluoro-3-pyridinyl)but-3-enenitrile
SMILESN#CCC=Cc1cncc(F)c1
InChIInChI=1S/C9H7FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h1,3,5-7H,2H2
InChIKeyRTNUOOXZLDSQCO-UHFFFAOYSA-N
XLogP2.15
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)but-3-enenitrile?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)but-3-enenitrile (CID 170799127) is 4-(5-fluoro-3-pyridinyl)but-3-enenitrile.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)but-3-enenitrile?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)but-3-enenitrile is N#CCC=Cc1cncc(F)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)but-3-enenitrile?
The InChIKey is RTNUOOXZLDSQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2/c10-9-5-8(6-12-7-9)3-1-2-4-11/h1,3,5-7H,2H2.
What are the key properties of 4-(5-fluoro-3-pyridinyl)but-3-enenitrile?
4-(5-fluoro-3-pyridinyl)but-3-enenitrile has a molecular weight of 162.17 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)but-3-enenitrile is sourced from PubChem (CID 170799127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).