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

C15H7ClF6N2 — CID 56604828

IUPAC2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C15H7ClF6N2/c16-13-11(15(20,21)22)5-6-12(24-13)10(7-23)8-1-3-9(4-2-8)14(17,18)19/h1-6,10H
InChIKeyBVKFWGFJISGLBN-UHFFFAOYSA-N
MW364.68 g/mol
LogP5.43
Rot. Bonds2

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

2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile (PubChem CID 56604828) has the molecular formula C15H7ClF6N2 and a molecular weight of 364.68 g/mol. Its IUPAC name is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile
PubChem CID56604828
Molecular FormulaC15H7ClF6N2
Molecular Weight364.68 g/mol
Exact Mass364.02
IUPAC Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C15H7ClF6N2/c16-13-11(15(20,21)22)5-6-12(24-13)10(7-23)8-1-3-9(4-2-8)14(17,18)19/h1-6,10H
InChIKeyBVKFWGFJISGLBN-UHFFFAOYSA-N
XLogP5.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.68
LogP ≤ 55.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile (CID 56604828) is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile is N#CC(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile?
The InChIKey is BVKFWGFJISGLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6N2/c16-13-11(15(20,21)22)5-6-12(24-13)10(7-23)8-1-3-9(4-2-8)14(17,18)19/h1-6,10H.
What are the key properties of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile?
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetonitrile has a molecular weight of 364.68 g/mol, XLogP of 5.43, 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-[4-(trifluoromethyl)phenyl]acetonitrile is sourced from PubChem (CID 56604828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).