4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one

C9H5Cl3F2N2O — CID 168688905

IUPAC4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C9H5Cl3F2N2O/c10-3-1-4(17)16(2-3)7-5(11)8(13)15-9(14)6(7)12/h3H,1-2H2
InChIKeyWATIGGFHHSIOFO-UHFFFAOYSA-N
MW301.51 g/mol
LogP3.01
Rot. Bonds1

About 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one

4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one (PubChem CID 168688905) has the molecular formula C9H5Cl3F2N2O and a molecular weight of 301.51 g/mol. Its IUPAC name is 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
PubChem CID168688905
Molecular FormulaC9H5Cl3F2N2O
Molecular Weight301.51 g/mol
Exact Mass299.94
IUPAC Name4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1c(Cl)c(F)nc(F)c1Cl
InChIInChI=1S/C9H5Cl3F2N2O/c10-3-1-4(17)16(2-3)7-5(11)8(13)15-9(14)6(7)12/h3H,1-2H2
InChIKeyWATIGGFHHSIOFO-UHFFFAOYSA-N
XLogP3.01
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one
CID 168660467
4-chloro-1-(3,5-dichloro-2,4-difluorophenyl)pyrrolidin-2-one
CID 168689041
4-chloro-1-(2,6-difluoro-4-methoxyphenyl)pyrrolidin-2-one
CID 168687823
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
CID 168688173
4-chloro-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-one
CID 168688388
4-chloro-1-[2-chloro-6-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168688878
4-chloro-1-(3,5-dichloropyrazin-2-yl)pyrrolidin-2-one
CID 168688926
4-chloro-1-(2,4-dichloropyrimidin-5-yl)pyrrolidin-2-one
CID 168689444
4-chloro-1-(4-chlorophenyl)pyrrolidin-2-one
CID 168689223
4-chloro-1-(2-chloro-6-methylpyrimidin-4-yl)pyrrolidin-2-one
CID 168688384
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one (CID 168688905) is 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one is O=C1CC(Cl)CN1c1c(Cl)c(F)nc(F)c1Cl.
What is the InChIKey of 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
The InChIKey is WATIGGFHHSIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3F2N2O/c10-3-1-4(17)16(2-3)7-5(11)8(13)15-9(14)6(7)12/h3H,1-2H2.
What are the key properties of 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one?
4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one has a molecular weight of 301.51 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3,5-dichloro-2,6-difluoro-4-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 168688905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).