2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile

C14H6Cl3F3N2 — CID 56604864

IUPAC2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2/c15-7-1-2-8(11(16)5-7)9(6-21)12-4-3-10(13(17)22-12)14(18,19)20/h1-5,9H
InChIKeyNRAYSKSAJKVBGQ-UHFFFAOYSA-N
MW365.57 g/mol
LogP5.72
Rot. Bonds2

About 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile

2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 56604864) has the molecular formula C14H6Cl3F3N2 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID56604864
Molecular FormulaC14H6Cl3F3N2
Molecular Weight365.57 g/mol
Exact Mass363.95
IUPAC Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2/c15-7-1-2-8(11(16)5-7)9(6-21)12-4-3-10(13(17)22-12)14(18,19)20/h1-5,9H
InChIKeyNRAYSKSAJKVBGQ-UHFFFAOYSA-N
XLogP5.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 3758411
2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
CID 83738665
(2R)-2-[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-2-(4-chlorophenyl)acetonitrile
CID 40783705
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981
(2S)-2-(2,4-dichlorophenyl)-2-fluoropropanenitrile
CID 124567272
2,4-dichloro-1-(1-chloro-2,2,3,3,3-pentafluoropropyl)benzene
CID 55198798
2-cinnolin-4-yl-2-(2,4-dichlorophenyl)acetonitrile
CID 5156996
CID 69435849
CID 69435849
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
2-(2,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 43115042
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-dichlorobenzene
CID 79660738
2,6-bis(2,4,6-trichlorophenyl)-3-(trifluoromethyl)pyridine
CID 134635943

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile (CID 56604864) is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile is N#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is NRAYSKSAJKVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F3N2/c15-7-1-2-8(11(16)5-7)9(6-21)12-4-3-10(13(17)22-12)14(18,19)20/h1-5,9H.
What are the key properties of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 365.57 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 56604864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).