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

C10H7ClF3N3O — CID 177168003

IUPAC1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
SMILESO=C1C=CCN1Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H7ClF3N3O/c11-9-6(10(12,13)14)3-4-7(15-9)16-17-5-1-2-8(17)18/h1-4H,5H2,(H,15,16)
InChIKeySRRAYJYSMHVVQQ-UHFFFAOYSA-N
MW277.63 g/mol
LogP2.48
Rot. Bonds2

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

1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one (PubChem CID 177168003) has the molecular formula C10H7ClF3N3O and a molecular weight of 277.63 g/mol. Its IUPAC name is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
PubChem CID177168003
Molecular FormulaC10H7ClF3N3O
Molecular Weight277.63 g/mol
Exact Mass277.02
IUPAC Name1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one
SMILESO=C1C=CCN1Nc1ccc(C(F)(F)F)c(Cl)n1
InChIInChI=1S/C10H7ClF3N3O/c11-9-6(10(12,13)14)3-4-7(15-9)16-17-5-1-2-8(17)18/h1-4H,5H2,(H,15,16)
InChIKeySRRAYJYSMHVVQQ-UHFFFAOYSA-N
XLogP2.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.63
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one?
The IUPAC name of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one (CID 177168003) is 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one.
What is the SMILES notation for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one?
The canonical SMILES for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one is O=C1C=CCN1Nc1ccc(C(F)(F)F)c(Cl)n1.
What is the InChIKey of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one?
The InChIKey is SRRAYJYSMHVVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N3O/c11-9-6(10(12,13)14)3-4-7(15-9)16-17-5-1-2-8(17)18/h1-4H,5H2,(H,15,16).
What are the key properties of 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one?
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one has a molecular weight of 277.63 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2H-pyrrol-5-one is sourced from PubChem (CID 177168003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).