1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one

C12H11ClF3N3O2 — CID 3560709

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one
SMILESCON=CC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C12H11ClF3N3O2/c1-21-18-5-7-2-3-19(11(7)20)10-9(13)4-8(6-17-10)12(14,15)16/h4-7H,2-3H2,1H3
InChIKeyQFGAOOYGVRMMCB-UHFFFAOYSA-N
MW321.69 g/mol
LogP2.74
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one (PubChem CID 3560709) has the molecular formula C12H11ClF3N3O2 and a molecular weight of 321.69 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one
PubChem CID3560709
Molecular FormulaC12H11ClF3N3O2
Molecular Weight321.69 g/mol
Exact Mass321.05
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one
SMILESCON=CC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O
InChIInChI=1S/C12H11ClF3N3O2/c1-21-18-5-7-2-3-19(11(7)20)10-9(13)4-8(6-17-10)12(14,15)16/h4-7H,2-3H2,1H3
InChIKeyQFGAOOYGVRMMCB-UHFFFAOYSA-N
XLogP2.74
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.69
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione
CID 1486292
2-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanamide
CID 3871588
Ethyl 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
CID 4024930
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxo-3-pyrrolidinecarbaldehyde O-methyloxime
CID 9625782
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N-[(methoxyamino)methylene]-4,5-dihydro-3-isoxazolecarboxamide
CID 135423149
N-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)pivalamide
CID 885766
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-methylpropanamide
CID 2333297
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxamide
CID 4328595
1-[5-[2-(5-Chloro-3-pyridinyl)ethynyl]-2-pyridinyl]-4,4-dimethylpyrrolidin-2-one
CID 53493627
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-ethoxy-2,4-dihydro-3H-pyrazol-3-one
CID 1476012
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-methyloxime
CID 1477083

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one (CID 3560709) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one is CON=CC1CCN(c2ncc(C(F)(F)F)cc2Cl)C1=O.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one?
The InChIKey is QFGAOOYGVRMMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClF3N3O2/c1-21-18-5-7-2-3-19(11(7)20)10-9(13)4-8(6-17-10)12(14,15)16/h4-7H,2-3H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one has a molecular weight of 321.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-(methoxyiminomethyl)pyrrolidin-2-one is sourced from PubChem (CID 3560709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).