3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane

C9H11ClF3NO — CID 158517242

IUPAC3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane
SMILESCCC.O=c1[nH]cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H3ClF3NO.C3H8/c7-4-1-3(6(8,9)10)2-11-5(4)12;1-3-2/h1-2H,(H,11,12);3H2,1-2H3
InChIKeyHLTXMQONAOGHIT-UHFFFAOYSA-N
MW241.64 g/mol
LogP3.46
Rot. Bonds

About 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane

3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane (PubChem CID 158517242) has the molecular formula C9H11ClF3NO and a molecular weight of 241.64 g/mol. Its IUPAC name is 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane.

Molecular Properties

Compound Name3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane
PubChem CID158517242
Molecular FormulaC9H11ClF3NO
Molecular Weight241.64 g/mol
Exact Mass241.05
IUPAC Name3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane
SMILESCCC.O=c1[nH]cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C6H3ClF3NO.C3H8/c7-4-1-3(6(8,9)10)2-11-5(4)12;1-3-2/h1-2H,(H,11,12);3H2,1-2H3
InChIKeyHLTXMQONAOGHIT-UHFFFAOYSA-N
XLogP3.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.64
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane?
The IUPAC name of 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane (CID 158517242) is 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane.
What is the SMILES notation for 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane?
The canonical SMILES for 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane is CCC.O=c1[nH]cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane?
The InChIKey is HLTXMQONAOGHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF3NO.C3H8/c7-4-1-3(6(8,9)10)2-11-5(4)12;1-3-2/h1-2H,(H,11,12);3H2,1-2H3.
What are the key properties of 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane?
3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane has a molecular weight of 241.64 g/mol, XLogP of 3.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(trifluoromethyl)-1H-pyridin-2-one;propane is sourced from PubChem (CID 158517242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).