4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile

C10H6ClF3N2 — CID 170800313

IUPAC4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H6ClF3N2/c11-9-8(10(12,13)14)5-7(6-16-9)3-1-2-4-15/h1,3,5-6H,2H2
InChIKeyGOYRPUTWNRLTEX-UHFFFAOYSA-N
MW246.62 g/mol
LogP3.68
Rot. Bonds2

About 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile

4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile (PubChem CID 170800313) has the molecular formula C10H6ClF3N2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile.

Molecular Properties

Compound Name4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
PubChem CID170800313
Molecular FormulaC10H6ClF3N2
Molecular Weight246.62 g/mol
Exact Mass246.02
IUPAC Name4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile
SMILESN#CCC=Cc1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H6ClF3N2/c11-9-8(10(12,13)14)5-7(6-16-9)3-1-2-4-15/h1,3,5-6H,2H2
InChIKeyGOYRPUTWNRLTEX-UHFFFAOYSA-N
XLogP3.68
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-N-methylbut-3-en-1-amine
CID 170496369
4-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800175
4-(5-amino-2-chloro-3-pyridinyl)but-3-enenitrile
CID 170799310
4-[2,6-dichloro-4-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800501
4-(5-fluoro-3-pyridinyl)but-3-enenitrile
CID 170799127
4-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]but-3-enenitrile
CID 170800582
5-(3-cyanoprop-1-enyl)-3-methylpyridine-2-carbonitrile
CID 170799631
4-[3-hydroxy-5-(trifluoromethyl)phenyl]but-3-enenitrile
CID 170800244
3-[6-amino-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169453823
4-(5-amino-6-chloropyrazin-2-yl)but-3-enenitrile
CID 170799459
4-(1,2-oxazol-4-yl)but-3-enenitrile
CID 170799056
4-(2-bromo-4-pyridinyl)but-3-enenitrile
CID 170800715

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile?
The IUPAC name of 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile (CID 170800313) is 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile.
What is the SMILES notation for 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile?
The canonical SMILES for 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile is N#CCC=Cc1cnc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile?
The InChIKey is GOYRPUTWNRLTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N2/c11-9-8(10(12,13)14)5-7(6-16-9)3-1-2-4-15/h1,3,5-6H,2H2.
What are the key properties of 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile?
4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile has a molecular weight of 246.62 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]but-3-enenitrile is sourced from PubChem (CID 170800313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).