5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one

C14H8F3N3O — CID 57119998

IUPAC5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cc3ccccc3nn2)cc1C(F)(F)F
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-5-9(7-18-13(10)21)12-6-8-3-1-2-4-11(8)19-20-12/h1-7H,(H,18,21)
InChIKeyMXKAOZXFYABCBB-UHFFFAOYSA-N
MW291.23 g/mol
LogP3.00
Rot. Bonds1

About 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one

5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 57119998) has the molecular formula C14H8F3N3O and a molecular weight of 291.23 g/mol. Its IUPAC name is 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID57119998
Molecular FormulaC14H8F3N3O
Molecular Weight291.23 g/mol
Exact Mass291.06
IUPAC Name5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2cc3ccccc3nn2)cc1C(F)(F)F
InChIInChI=1S/C14H8F3N3O/c15-14(16,17)10-5-9(7-18-13(10)21)12-6-8-3-1-2-4-11(8)19-20-12/h1-7H,(H,18,21)
InChIKeyMXKAOZXFYABCBB-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cinnolin-3-ylcinnoline
CID 12908797
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
5-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091414
2-naphthalen-2-yl-5-(trifluoromethyl)quinoline
CID 167209787
3-methyl-5-quinolin-3-yl-1H-pyridin-2-one
CID 83128882
cinnolin-3-yl trifluoromethanesulfonate
CID 170578226
5-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
CID 130953520
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methyl-1H-pyridin-2-one
CID 107290813
5-(trifluoromethyl)-3-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 133092027
3-[4-ethyl-3-(trifluoromethyl)phenyl]quinoline
CID 70792067
2-[3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 168552892
3-cinnolin-3-yl-[1]benzofuro[2,3-c]pyridine
CID 168746605

Frequently Asked Questions

What is the IUPAC name of 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one (CID 57119998) is 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(-c2cc3ccccc3nn2)cc1C(F)(F)F.
What is the InChIKey of 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is MXKAOZXFYABCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O/c15-14(16,17)10-5-9(7-18-13(10)21)12-6-8-3-1-2-4-11(8)19-20-12/h1-7H,(H,18,21).
What are the key properties of 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one?
5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 291.23 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cinnolin-3-yl-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 57119998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).