1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

C12H7F6N3O2 — CID 177167962

IUPAC1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2cc(C(F)(F)F)c(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C12H7F6N3O2/c1-5-2-9(22)21(10(5)23)20-8-3-6(11(13,14)15)7(4-19-8)12(16,17)18/h2-4H,1H3,(H,19,20)
InChIKeyTUJLXMUHMZFZHR-UHFFFAOYSA-N
MW339.20 g/mol
LogP2.76
Rot. Bonds2

About 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione

1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (PubChem CID 177167962) has the molecular formula C12H7F6N3O2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
PubChem CID177167962
Molecular FormulaC12H7F6N3O2
Molecular Weight339.20 g/mol
Exact Mass339.04
IUPAC Name1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(Nc2cc(C(F)(F)F)c(C(F)(F)F)cn2)C1=O
InChIInChI=1S/C12H7F6N3O2/c1-5-2-9(22)21(10(5)23)20-8-3-6(11(13,14)15)7(4-19-8)12(16,17)18/h2-4H,1H3,(H,19,20)
InChIKeyTUJLXMUHMZFZHR-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[[6-pyrrolidin-1-yl-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrole-2,5-dione
CID 177168127
5-fluoro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 178093287
[6-(methylamino)-4-(trifluoromethyl)-3-pyridinyl]boronic acid
CID 167311821
7-methyl-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-6-one
CID 59284274
1-[[6-(3,3-difluoroazetidin-1-yl)-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methylpyrrole-2,5-dione
CID 177168064
5-bromo-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine;ethane
CID 145391575
3,4-dimethyl-1-[[6-(4-methylphenyl)-5-(trifluoromethyl)-2-pyridinyl]amino]pyrrolidine-2,5-dione
CID 67088861
methyl 3-[6-(2,2-dimethylpropanoylamino)-4-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 156788688
3-[1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-4-methyl-2,5-dioxopyrrol-3-yl]-2-methylpropanoic acid
CID 87761434
2-(azetidin-1-yl)-5-methyl-3-(trifluoromethyl)pyridine
CID 130243856
4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141176474
1-[[6-chloro-5-(trifluoromethyl)-2-pyridinyl]methylamino]-3,4-dimethylpyrrole-2,5-dione
CID 87263557

Frequently Asked Questions

What is the IUPAC name of 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione (CID 177167962) is 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(Nc2cc(C(F)(F)F)c(C(F)(F)F)cn2)C1=O.
What is the InChIKey of 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
The InChIKey is TUJLXMUHMZFZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6N3O2/c1-5-2-9(22)21(10(5)23)20-8-3-6(11(13,14)15)7(4-19-8)12(16,17)18/h2-4H,1H3,(H,19,20).
What are the key properties of 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione?
1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione has a molecular weight of 339.20 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4,5-bis(trifluoromethyl)-2-pyridinyl]amino]-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 177167962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).