6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

C7H3ClF5NO — CID 130072516

IUPAC6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15)
InChIKeyXQDUQHRBJOGMTQ-UHFFFAOYSA-N
MW247.55 g/mol
LogP2.98
Rot. Bonds1

About 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one

6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 130072516) has the molecular formula C7H3ClF5NO and a molecular weight of 247.55 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID130072516
Molecular FormulaC7H3ClF5NO
Molecular Weight247.55 g/mol
Exact Mass246.98
IUPAC Name6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]c(Cl)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C7H3ClF5NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15)
InChIKeyXQDUQHRBJOGMTQ-UHFFFAOYSA-N
XLogP2.98
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.55
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one (CID 130072516) is 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]c(Cl)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is XQDUQHRBJOGMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF5NO/c8-3-1-2(5(9)10)4(6(15)14-3)7(11,12)13/h1,5H,(H,14,15).
What are the key properties of 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one?
6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 247.55 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(difluoromethyl)-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 130072516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).