2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile

C13H6Cl3FN2 — CID 133093930

IUPAC2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl3FN2/c14-9-6-11(16)10(15)5-8(9)12-7(1-3-18)2-4-19-13(12)17/h2,4-6H,1H2
InChIKeyOKHPEUJFUAZCHX-UHFFFAOYSA-N
MW315.56 g/mol
LogP4.91
Rot. Bonds2

About 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile

2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile (PubChem CID 133093930) has the molecular formula C13H6Cl3FN2 and a molecular weight of 315.56 g/mol. Its IUPAC name is 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
PubChem CID133093930
Molecular FormulaC13H6Cl3FN2
Molecular Weight315.56 g/mol
Exact Mass313.96
IUPAC Name2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile
SMILESN#CCc1ccnc(F)c1-c1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl3FN2/c14-9-6-11(16)10(15)5-8(9)12-7(1-3-18)2-4-19-13(12)17/h2,4-6H,1H2
InChIKeyOKHPEUJFUAZCHX-UHFFFAOYSA-N
XLogP4.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.56
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[2,3-bis(2,3,5-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134637207
2-fluoro-3-(2,4,5-trichlorophenyl)pyridine
CID 133088815
2-[2-(2,4,5-trichlorophenyl)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118819376
2-[2,3-bis(3,5-dichlorophenyl)-4-pyridinyl]acetonitrile
CID 133094384
2-[5-fluoro-3-(2,4,5-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 133093945
2-[5-(2,4-dichlorophenyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 133094509
2-(2-chloro-3-phenyl-4-pyridinyl)acetonitrile
CID 119012419
[2-amino-3-(2,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 133086599
2-[2-fluoro-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 133094891
2-(2,4-dichloro-5-fluorophenyl)acetonitrile
CID 2774021

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The IUPAC name of 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile (CID 133093930) is 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The canonical SMILES for 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile is N#CCc1ccnc(F)c1-c1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
The InChIKey is OKHPEUJFUAZCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl3FN2/c14-9-6-11(16)10(15)5-8(9)12-7(1-3-18)2-4-19-13(12)17/h2,4-6H,1H2.
What are the key properties of 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile?
2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile has a molecular weight of 315.56 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(2,4,5-trichlorophenyl)-4-pyridinyl]acetonitrile is sourced from PubChem (CID 133093930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).