1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone

C16H15F3N2O — CID 150300315

IUPAC1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone
SMILESCCc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1C(C)=O
InChIInChI=1S/C16H15F3N2O/c1-3-11-4-9-14(21-15(11)10(2)22)20-13-7-5-12(6-8-13)16(17,18)19/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyGJLVAJAKAOQMIQ-UHFFFAOYSA-N
MW308.30 g/mol
LogP4.61
Rot. Bonds4

About 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone

1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone (PubChem CID 150300315) has the molecular formula C16H15F3N2O and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone
PubChem CID150300315
Molecular FormulaC16H15F3N2O
Molecular Weight308.30 g/mol
Exact Mass308.11
IUPAC Name1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone
SMILESCCc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1C(C)=O
InChIInChI=1S/C16H15F3N2O/c1-3-11-4-9-14(21-15(11)10(2)22)20-13-7-5-12(6-8-13)16(17,18)19/h4-9H,3H2,1-2H3,(H,20,21)
InChIKeyGJLVAJAKAOQMIQ-UHFFFAOYSA-N
XLogP4.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone?
The IUPAC name of 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone (CID 150300315) is 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone?
The canonical SMILES for 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone is CCc1ccc(Nc2ccc(C(F)(F)F)cc2)nc1C(C)=O.
What is the InChIKey of 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone?
The InChIKey is GJLVAJAKAOQMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O/c1-3-11-4-9-14(21-15(11)10(2)22)20-13-7-5-12(6-8-13)16(17,18)19/h4-9H,3H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone?
1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone has a molecular weight of 308.30 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-6-[4-(trifluoromethyl)anilino]-2-pyridinyl]ethanone is sourced from PubChem (CID 150300315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).