2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone

C8H7F3N2O — CID 171527296

IUPAC2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone
SMILESCNc1ccc(C(=O)C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O/c1-12-5-2-3-6(13-4-5)7(14)8(9,10)11/h2-4,12H,1H3
InChIKeyXKBCBIFCPBBETA-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.87
Rot. Bonds2

About 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone

2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone (PubChem CID 171527296) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone
PubChem CID171527296
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone
SMILESCNc1ccc(C(=O)C(F)(F)F)nc1
InChIInChI=1S/C8H7F3N2O/c1-12-5-2-3-6(13-4-5)7(14)8(9,10)11/h2-4,12H,1H3
InChIKeyXKBCBIFCPBBETA-UHFFFAOYSA-N
XLogP1.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone (CID 171527296) is 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone is CNc1ccc(C(=O)C(F)(F)F)nc1.
What is the InChIKey of 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone?
The InChIKey is XKBCBIFCPBBETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c1-12-5-2-3-6(13-4-5)7(14)8(9,10)11/h2-4,12H,1H3.
What are the key properties of 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone?
2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone has a molecular weight of 204.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-(methylamino)-2-pyridinyl]ethanone is sourced from PubChem (CID 171527296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).