N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide

C10H9F3N2O — CID 135001456

IUPACN-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H9F3N2O/c1-6(15-7(2)16)9-4-3-8(5-14-9)10(11,12)13/h3-5H,1H2,2H3,(H,15,16)
InChIKeyHECJZRDIONYDHO-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.21
Rot. Bonds2

About N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide

N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide (PubChem CID 135001456) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide
PubChem CID135001456
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC NameN-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide
SMILESC=C(NC(C)=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H9F3N2O/c1-6(15-7(2)16)9-4-3-8(5-14-9)10(11,12)13/h3-5H,1H2,2H3,(H,15,16)
InChIKeyHECJZRDIONYDHO-UHFFFAOYSA-N
XLogP2.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide?
The IUPAC name of N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide (CID 135001456) is N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide.
What is the SMILES notation for N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide?
The canonical SMILES for N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide is C=C(NC(C)=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide?
The InChIKey is HECJZRDIONYDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-6(15-7(2)16)9-4-3-8(5-14-9)10(11,12)13/h3-5H,1H2,2H3,(H,15,16).
What are the key properties of N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide?
N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide has a molecular weight of 230.19 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(trifluoromethyl)-2-pyridinyl]ethenyl]acetamide is sourced from PubChem (CID 135001456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).