1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

C11H6ClF4N3O2 — CID 177168090

IUPAC1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(Cl)c(C(F)(F)F)cc2F)C1=O
InChIInChI=1S/C11H6ClF4N3O2/c1-4-2-7(20)19(10(4)21)18-9-6(13)3-5(8(12)17-9)11(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyFCAALGBUAOCSBJ-UHFFFAOYSA-N
MW323.63 g/mol
LogP2.53
Rot. Bonds2

About 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177168090) has the molecular formula C11H6ClF4N3O2 and a molecular weight of 323.63 g/mol. Its IUPAC name is 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177168090
Molecular FormulaC11H6ClF4N3O2
Molecular Weight323.63 g/mol
Exact Mass323.01
IUPAC Name1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2nc(Cl)c(C(F)(F)F)cc2F)C1=O
InChIInChI=1S/C11H6ClF4N3O2/c1-4-2-7(20)19(10(4)21)18-9-6(13)3-5(8(12)17-9)11(14,15)16/h2-3H,1H3,(H,17,18)
InChIKeyFCAALGBUAOCSBJ-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.63
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)acetamide
CID 25104692
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 58230264
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177167973
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-propan-2-ylpyrrole-2,5-dione
CID 177167985
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-cyclopropylpyrrole-2,5-dione
CID 177167987
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one
CID 177167992
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methoxypyrrole-2,5-dione
CID 177167993
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
CID 177168003
1-[[5,6-Bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168039
N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide
CID 177168077
1-[(6-Chloro-2-pyridinyl)amino]-3-methylpyrrole-2,5-dione
CID 177168080

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177168090) is 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2nc(Cl)c(C(F)(F)F)cc2F)C1=O.
What is the InChIKey of 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is FCAALGBUAOCSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF4N3O2/c1-4-2-7(20)19(10(4)21)18-9-6(13)3-5(8(12)17-9)11(14,15)16/h2-3H,1H3,(H,17,18).
What are the key properties of 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 323.63 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177168090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).