N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine

C9H8BrF3N2 — CID 115594979

IUPACN-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESC=C(Br)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8BrF3N2/c1-6(10)4-14-8-3-2-7(5-15-8)9(11,12)13/h2-3,5H,1,4H2,(H,14,15)
InChIKeyPGSZQSQTOJRHGK-UHFFFAOYSA-N
MW281.08 g/mol
LogP3.42
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine

N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 115594979) has the molecular formula C9H8BrF3N2 and a molecular weight of 281.08 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID115594979
Molecular FormulaC9H8BrF3N2
Molecular Weight281.08 g/mol
Exact Mass279.98
IUPAC NameN-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESC=C(Br)CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C9H8BrF3N2/c1-6(10)4-14-8-3-2-7(5-15-8)9(11,12)13/h2-3,5H,1,4H2,(H,14,15)
InChIKeyPGSZQSQTOJRHGK-UHFFFAOYSA-N
XLogP3.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine (CID 115594979) is N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine is C=C(Br)CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PGSZQSQTOJRHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2/c1-6(10)4-14-8-3-2-7(5-15-8)9(11,12)13/h2-3,5H,1,4H2,(H,14,15).
What are the key properties of N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine?
N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 281.08 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 115594979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).