5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

C10H8BrF3N4O — CID 106404166

IUPAC5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1ncon1
InChIInChI=1S/C10H8BrF3N4O/c11-6-3-7(10(12,13)14)9(16-4-6)15-2-1-8-17-5-19-18-8/h3-5H,1-2H2,(H,15,16)
InChIKeyJKFUEMYSSKSZEQ-UHFFFAOYSA-N
MW337.10 g/mol
LogP2.90
Rot. Bonds4

About 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106404166) has the molecular formula C10H8BrF3N4O and a molecular weight of 337.10 g/mol. Its IUPAC name is 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106404166
Molecular FormulaC10H8BrF3N4O
Molecular Weight337.10 g/mol
Exact Mass335.98
IUPAC Name5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cc(Br)cnc1NCCc1ncon1
InChIInChI=1S/C10H8BrF3N4O/c11-6-3-7(10(12,13)14)9(16-4-6)15-2-1-8-17-5-19-18-8/h3-5H,1-2H2,(H,15,16)
InChIKeyJKFUEMYSSKSZEQ-UHFFFAOYSA-N
XLogP2.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795936
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
5-bromo-N-[2-(2-fluorophenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106795925
5-bromo-N-octyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796309
5-bromo-N-(3-phenylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106795999
5-bromo-N-[2-(3-methylphenyl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796142
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
N-[(3,5-dibromo-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 114183499
5-bromo-N-(2-cyclopentylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796000
5-bromo-N-(2-cyclohexylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796001
5-bromo-N-[3-(1H-1,2,4-triazol-5-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796222
5-bromo-N-(2-phenoxyethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796104

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine (CID 106404166) is 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cc(Br)cnc1NCCc1ncon1.
What is the InChIKey of 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JKFUEMYSSKSZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4O/c11-6-3-7(10(12,13)14)9(16-4-6)15-2-1-8-17-5-19-18-8/h3-5H,1-2H2,(H,15,16).
What are the key properties of 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 337.10 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106404166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).