3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one

C11H6F3N3O2 — CID 89301100

IUPAC3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
SMILESO=Nc1cc(-c2ncccc2C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)7-2-1-3-15-9(7)6-4-8(17-19)10(18)16-5-6/h1-5H,(H,16,18)
InChIKeyMWCSPCSHSFECEM-UHFFFAOYSA-N
MW269.18 g/mol
LogP2.85
Rot. Bonds2

About 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one

3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 89301100) has the molecular formula C11H6F3N3O2 and a molecular weight of 269.18 g/mol. Its IUPAC name is 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
PubChem CID89301100
Molecular FormulaC11H6F3N3O2
Molecular Weight269.18 g/mol
Exact Mass269.04
IUPAC Name3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one
SMILESO=Nc1cc(-c2ncccc2C(F)(F)F)c[nH]c1=O
InChIInChI=1S/C11H6F3N3O2/c12-11(13,14)7-2-1-3-15-9(7)6-4-8(17-19)10(18)16-5-6/h1-5H,(H,16,18)
InChIKeyMWCSPCSHSFECEM-UHFFFAOYSA-N
XLogP2.85
TPSA75.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenyl)-3-(trifluoromethyl)pyridine
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CID 135682064
2-[3-[3-(trifluoromethyl)-2-pyridinyl]phenyl]guanidine;dihydrochloride
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3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
2-(2,4,5-trichlorophenyl)-3-(trifluoromethyl)pyridine
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4-chloro-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-c]pyridazine
CID 58945607
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867
3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 154630724
4-[7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-yl]phenol
CID 174467134
5-nitroso-8-(trifluoromethyl)quinolin-6-ol
CID 15279328
3-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-1,2-benzothiazole
CID 91550273
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CID 22030050

Frequently Asked Questions

What is the IUPAC name of 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one (CID 89301100) is 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one is O=Nc1cc(-c2ncccc2C(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is MWCSPCSHSFECEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O2/c12-11(13,14)7-2-1-3-15-9(7)6-4-8(17-19)10(18)16-5-6/h1-5H,(H,16,18).
What are the key properties of 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one?
3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 269.18 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroso-5-[3-(trifluoromethyl)-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 89301100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).