4-pyridin-3-ylbut-3-enenitrile

C9H8N2 — CID 170799077

IUPAC4-pyridin-3-ylbut-3-enenitrile
SMILESN#CCC=Cc1cccnc1
InChIInChI=1S/C9H8N2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,3-5,7-8H,2H2
InChIKeyDAYRNLKYOGOLJG-UHFFFAOYSA-N
MW144.18 g/mol
LogP2.01
Rot. Bonds2

About 4-pyridin-3-ylbut-3-enenitrile

4-pyridin-3-ylbut-3-enenitrile (PubChem CID 170799077) has the molecular formula C9H8N2 and a molecular weight of 144.18 g/mol. Its IUPAC name is 4-pyridin-3-ylbut-3-enenitrile.

Molecular Properties

Compound Name4-pyridin-3-ylbut-3-enenitrile
PubChem CID170799077
Molecular FormulaC9H8N2
Molecular Weight144.18 g/mol
Exact Mass144.07
IUPAC Name4-pyridin-3-ylbut-3-enenitrile
SMILESN#CCC=Cc1cccnc1
InChIInChI=1S/C9H8N2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,3-5,7-8H,2H2
InChIKeyDAYRNLKYOGOLJG-UHFFFAOYSA-N
XLogP2.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-3-pyridin-3-ylprop-2-enenitrile
CID 10441725
3-[(E)-2-pyridin-3-ylethenyl]pyridine;zinc
CID 175746701
4-pyridin-3-ylbut-3-enoic acid
CID 439
4-isoquinolin-6-ylbut-3-enenitrile
CID 170799874
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
4-(3-amino-4-pyridinyl)but-3-enenitrile
CID 170799112
4-(3-chloro-4-pyridinyl)but-3-enenitrile
CID 170799142
(E)-4-pyridin-3-ylbut-3-enamide
CID 141387555
3-oct-1-enylpyridine
CID 67243858
(E)-N-[4-(cyanomethyl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38072631
4-(5-fluoro-3-pyridinyl)but-3-enenitrile
CID 170799127
3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylbut-3-enenitrile?
The IUPAC name of 4-pyridin-3-ylbut-3-enenitrile (CID 170799077) is 4-pyridin-3-ylbut-3-enenitrile.
What is the SMILES notation for 4-pyridin-3-ylbut-3-enenitrile?
The canonical SMILES for 4-pyridin-3-ylbut-3-enenitrile is N#CCC=Cc1cccnc1.
What is the InChIKey of 4-pyridin-3-ylbut-3-enenitrile?
The InChIKey is DAYRNLKYOGOLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2/c10-6-2-1-4-9-5-3-7-11-8-9/h1,3-5,7-8H,2H2.
What are the key properties of 4-pyridin-3-ylbut-3-enenitrile?
4-pyridin-3-ylbut-3-enenitrile has a molecular weight of 144.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylbut-3-enenitrile is sourced from PubChem (CID 170799077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).