1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

C13H10BrF3N2O — CID 63279405

IUPAC1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cccc(Br)c1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H10BrF3N2O/c14-10-2-1-3-11(18)9(10)7-19-6-8(13(15,16)17)4-5-12(19)20/h1-6H,7,18H2
InChIKeyFLNWFADCOMPPAG-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.26
Rot. Bonds2

About 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one

1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 63279405) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID63279405
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one
SMILESNc1cccc(Br)c1Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H10BrF3N2O/c14-10-2-1-3-11(18)9(10)7-19-6-8(13(15,16)17)4-5-12(19)20/h1-6H,7,18H2
InChIKeyFLNWFADCOMPPAG-UHFFFAOYSA-N
XLogP3.26
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one (CID 63279405) is 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is Nc1cccc(Br)c1Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is FLNWFADCOMPPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c14-10-2-1-3-11(18)9(10)7-19-6-8(13(15,16)17)4-5-12(19)20/h1-6H,7,18H2.
What are the key properties of 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one?
1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 347.13 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-6-bromophenyl)methyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 63279405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).