N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide

C8H4F3N3O — CID 44574289

IUPACN-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1ccc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-2-1-5(3-12)13-4-6/h1-2,4H,(H,14,15)
InChIKeyVEMQUFHWJFGZCB-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.45
Rot. Bonds1

About N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide

N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 44574289) has the molecular formula C8H4F3N3O and a molecular weight of 215.13 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID44574289
Molecular FormulaC8H4F3N3O
Molecular Weight215.13 g/mol
Exact Mass215.03
IUPAC NameN-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1ccc(NC(=O)C(F)(F)F)cn1
InChIInChI=1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-2-1-5(3-12)13-4-6/h1-2,4H,(H,14,15)
InChIKeyVEMQUFHWJFGZCB-UHFFFAOYSA-N
XLogP1.45
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide (CID 44574289) is N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide is N#Cc1ccc(NC(=O)C(F)(F)F)cn1.
What is the InChIKey of N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is VEMQUFHWJFGZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O/c9-8(10,11)7(15)14-6-2-1-5(3-12)13-4-6/h1-2,4H,(H,14,15).
What are the key properties of N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 215.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 44574289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).