3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

C8H8ClF3N2O — CID 126536605

IUPAC3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CNCl)c(=O)[nH]1
InChIInChI=1S/C8H8ClF3N2O/c1-4-2-6(8(10,11)12)5(3-13-9)7(15)14-4/h2,13H,3H2,1H3,(H,14,15)
InChIKeyDRQSJJJIQYGZNH-UHFFFAOYSA-N
MW240.61 g/mol
LogP1.95
Rot. Bonds2

About 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one

3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 126536605) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID126536605
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESCc1cc(C(F)(F)F)c(CNCl)c(=O)[nH]1
InChIInChI=1S/C8H8ClF3N2O/c1-4-2-6(8(10,11)12)5(3-13-9)7(15)14-4/h2,13H,3H2,1H3,(H,14,15)
InChIKeyDRQSJJJIQYGZNH-UHFFFAOYSA-N
XLogP1.95
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one (CID 126536605) is 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is Cc1cc(C(F)(F)F)c(CNCl)c(=O)[nH]1.
What is the InChIKey of 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is DRQSJJJIQYGZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-4-2-6(8(10,11)12)5(3-13-9)7(15)14-4/h2,13H,3H2,1H3,(H,14,15).
What are the key properties of 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one?
3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 240.61 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(chloroamino)methyl]-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 126536605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).