1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one

C10H7ClF3N3O2 — CID 177167992

IUPAC1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H7ClF3N3O2/c11-9-5(10(12,13)14)1-2-6(15-9)16-17-7(18)3-4-8(17)19/h1-4,7,18H,(H,15,16)
InChIKeySALGFBSLMAYIJZ-UHFFFAOYSA-N
MW293.63 g/mol
LogP1.80
Rot. Bonds2

About 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one

1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one (PubChem CID 177167992) has the molecular formula C10H7ClF3N3O2 and a molecular weight of 293.63 g/mol. Its IUPAC name is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one
PubChem CID177167992
Molecular FormulaC10H7ClF3N3O2
Molecular Weight293.63 g/mol
Exact Mass293.02
IUPAC Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H7ClF3N3O2/c11-9-5(10(12,13)14)1-2-6(15-9)16-17-7(18)3-4-8(17)19/h1-4,7,18H,(H,15,16)
InChIKeySALGFBSLMAYIJZ-UHFFFAOYSA-N
XLogP1.80
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3,4-dimethyl-1H-pyrrole-2,5-dione
CID 25104471
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]-3-methoxypyrrole-2,5-dione
CID 177167993
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
CID 177168003
N'-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]prop-2-enehydrazide
CID 177168077
1-[[6-Chloro-3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
CID 177168090
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(trifluoromethyl)pyrrole-2,5-dione
CID 177168102
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168163
1-[[6-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-ethylpyrrole-2,5-dione
CID 177168177

Frequently Asked Questions

What is the IUPAC name of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one (CID 177167992) is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one is O=C1C=CC(O)N1Nc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is SALGFBSLMAYIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O2/c11-9-5(10(12,13)14)1-2-6(15-9)16-17-7(18)3-4-8(17)19/h1-4,7,18H,(H,15,16).
What are the key properties of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one?
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 293.63 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 177167992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).