6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one

C11H7F3N2O — CID 163399751

IUPAC6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(C(F)(F)F)ccn2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)7-4-5-15-9(6-7)8-2-1-3-10(17)16-8/h1-6H,(H,16,17)
InChIKeyLSXDYDIWERZJNW-UHFFFAOYSA-N
MW240.18 g/mol
LogP2.46
Rot. Bonds1

About 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one

6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 163399751) has the molecular formula C11H7F3N2O and a molecular weight of 240.18 g/mol. Its IUPAC name is 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
PubChem CID163399751
Molecular FormulaC11H7F3N2O
Molecular Weight240.18 g/mol
Exact Mass240.05
IUPAC Name6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
SMILESO=c1cccc(-c2cc(C(F)(F)F)ccn2)[nH]1
InChIInChI=1S/C11H7F3N2O/c12-11(13,14)7-4-5-15-9(6-7)8-2-1-3-10(17)16-8/h1-6H,(H,16,17)
InChIKeyLSXDYDIWERZJNW-UHFFFAOYSA-N
XLogP2.46
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4197
Amrinone
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4-(Aminomethyl)-2-(trifluoromethyl)pyridine
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1-(Pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 971723
4-fluoro-N-(3-pyridinyl)benzamide
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2-(Pyridin-3-yl)-6-(trifluoromethyl)pyrimidin-4-ol
CID 135410009
6-(Pyridin-4-yl)pyridazin-3(2H)-one
CID 2727612
5-Bromo-2-(2-pyridinyl)-6-(trifluoromethyl)-4-pyrimidinol
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N-(pyridin-2-ylmethyl)acetamide
CID 5084090

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one (CID 163399751) is 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one is O=c1cccc(-c2cc(C(F)(F)F)ccn2)[nH]1.
What is the InChIKey of 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is LSXDYDIWERZJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O/c12-11(13,14)7-4-5-15-9(6-7)8-2-1-3-10(17)16-8/h1-6H,(H,16,17).
What are the key properties of 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 240.18 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 163399751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).