5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine

C10H10BrF3N2 — CID 106796376

IUPAC5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESC=CC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2/c1-3-6(2)16-9-8(10(12,13)14)4-7(11)5-15-9/h3-6H,1H2,2H3,(H,15,16)
InChIKeyPBOWYJJLFFPPSS-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine

5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 106796376) has the molecular formula C10H10BrF3N2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
PubChem CID106796376
Molecular FormulaC10H10BrF3N2
Molecular Weight295.10 g/mol
Exact Mass294.00
IUPAC Name5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine
SMILESC=CC(C)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3N2/c1-3-6(2)16-9-8(10(12,13)14)4-7(11)5-15-9/h3-6H,1H2,2H3,(H,15,16)
InChIKeyPBOWYJJLFFPPSS-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-chloro-3-methylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106797124
5-bromo-N-hexan-2-yl-3-(trifluoromethyl)pyridin-2-amine
CID 106796138
5-bromo-N-(1-cyclobutylethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796396
5-bromo-N-(4-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796371
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
N-[1-(3-aminophenyl)ethyl]-5-bromo-3-(trifluoromethyl)pyridin-2-amine
CID 106796671
5-bromo-N-(1-thiophen-2-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796179
1-N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]butane-1,3-diamine
CID 106796532
3-bromo-N-but-3-en-2-yl-5-chloropyridin-2-amine
CID 114836115
3-bromo-N-but-3-en-2-yl-5-(trifluoromethyl)aniline
CID 107907159
5-bromo-N-(2-chloroprop-2-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796361

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine (CID 106796376) is 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine is C=CC(C)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PBOWYJJLFFPPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2/c1-3-6(2)16-9-8(10(12,13)14)4-7(11)5-15-9/h3-6H,1H2,2H3,(H,15,16).
What are the key properties of 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine?
5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 295.10 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-but-3-en-2-yl-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106796376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).