2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one

C7H6BrF3N2O2 — CID 118853713

IUPAC2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(Br)c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O2/c8-3-2-13-4(1-12)6(5(3)14)15-7(9,10)11/h2H,1,12H2,(H,13,14)
InChIKeyHLJNDONOQSNPLZ-UHFFFAOYSA-N
MW287.04 g/mol
LogP1.49
Rot. Bonds2

About 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one

2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one (PubChem CID 118853713) has the molecular formula C7H6BrF3N2O2 and a molecular weight of 287.04 g/mol. Its IUPAC name is 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
PubChem CID118853713
Molecular FormulaC7H6BrF3N2O2
Molecular Weight287.04 g/mol
Exact Mass285.96
IUPAC Name2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
SMILESNCc1[nH]cc(Br)c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H6BrF3N2O2/c8-3-2-13-4(1-12)6(5(3)14)15-7(9,10)11/h2H,1,12H2,(H,13,14)
InChIKeyHLJNDONOQSNPLZ-UHFFFAOYSA-N
XLogP1.49
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.04
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803172
2-(aminomethyl)-6-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118803269
2-(aminomethyl)-3-bromo-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 118808732
2-(aminomethyl)-3-bromo-6-(trifluoromethoxy)-1H-pyridin-4-one
CID 118831299
2-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 118848254
5-bromo-2-(difluoromethyl)-3-hydroxy-1H-pyridin-4-one
CID 130099986
3-bromo-2-(difluoromethyl)-5-methoxy-1H-pyridin-4-one
CID 130110058
5-bromo-2-(difluoromethyl)-3-methoxy-1H-pyridin-4-one
CID 130110082
6-(aminomethyl)-2-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 131410192
3-bromo-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131443395
5-bromo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonitrile
CID 131572774
2-(aminomethyl)-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 131614041

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The IUPAC name of 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one (CID 118853713) is 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one.
What is the SMILES notation for 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The canonical SMILES for 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one is NCc1[nH]cc(Br)c(=O)c1OC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one?
The InChIKey is HLJNDONOQSNPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2O2/c8-3-2-13-4(1-12)6(5(3)14)15-7(9,10)11/h2H,1,12H2,(H,13,14).
What are the key properties of 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one?
2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one has a molecular weight of 287.04 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-bromo-3-(trifluoromethoxy)-1H-pyridin-4-one is sourced from PubChem (CID 118853713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).