1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one

C9H10ClF3N2O — CID 89092388

IUPAC1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CCCNCl
InChIInChI=1S/C9H10ClF3N2O/c10-14-4-2-6-15-5-1-3-7(8(15)16)9(11,12)13/h1,3,5,14H,2,4,6H2
InChIKeyUGSYCAQNIOYOHQ-UHFFFAOYSA-N
MW254.64 g/mol
LogP2.00
Rot. Bonds4

About 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one

1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one (PubChem CID 89092388) has the molecular formula C9H10ClF3N2O and a molecular weight of 254.64 g/mol. Its IUPAC name is 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
PubChem CID89092388
Molecular FormulaC9H10ClF3N2O
Molecular Weight254.64 g/mol
Exact Mass254.04
IUPAC Name1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one
SMILESO=c1c(C(F)(F)F)cccn1CCCNCl
InChIInChI=1S/C9H10ClF3N2O/c10-14-4-2-6-15-5-1-3-7(8(15)16)9(11,12)13/h1,3,5,14H,2,4,6H2
InChIKeyUGSYCAQNIOYOHQ-UHFFFAOYSA-N
XLogP2.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(3-Aminopropyl)-1,2-dihydropyridin-2-one
CID 572935
3-[2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]propanethioamide
CID 2746181
1-(3-Aminopropyl)-2(1H)-pyridinone hydrochloride
CID 43810793
1-(3-Aminopropyl)-3-(trifluoromethyl)pyridin-2-one
CID 59225309
3-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2(1H)-one
CID 67345591
3-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]propylcarbamic acid
CID 68896418
1-(3-Aminopropyl)-5-fluoro-1,2-dihydropyridin-2-one
CID 82146483
1-Propyl-3-(trifluoromethyl)pyridin-2-one
CID 91290615
1-(2,2-Difluoroethyl)-3-methylpyridin-2-one
CID 115978281
1-Ethyl-3-(trifluoromethyl)pyridin-2-one
CID 130708309
1-(3-Amino-propyl)-3-trifluoromethyl-1H-pyridin-2-one. Hydrochloride salt
CID 131739538
1-[(2R)-3-amino-2-methylpropyl]-5-fluoropyridin-2-one
CID 141424034

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one (CID 89092388) is 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one is O=c1c(C(F)(F)F)cccn1CCCNCl.
What is the InChIKey of 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one?
The InChIKey is UGSYCAQNIOYOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3N2O/c10-14-4-2-6-15-5-1-3-7(8(15)16)9(11,12)13/h1,3,5,14H,2,4,6H2.
What are the key properties of 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one?
1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one has a molecular weight of 254.64 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloroamino)propyl]-3-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 89092388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).