3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine

C9H10F3N3 — CID 169464082

IUPAC3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNCC=Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-4-6(2-1-3-13)8(14)15-5-7/h1-2,4-5H,3,13H2,(H2,14,15)
InChIKeyDCPRXSVGVPLWEF-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.65
Rot. Bonds2

About 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine

3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 169464082) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID169464082
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESNCC=Cc1cc(C(F)(F)F)cnc1N
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-4-6(2-1-3-13)8(14)15-5-7/h1-2,4-5H,3,13H2,(H2,14,15)
InChIKeyDCPRXSVGVPLWEF-UHFFFAOYSA-N
XLogP1.65
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine (CID 169464082) is 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine is NCC=Cc1cc(C(F)(F)F)cnc1N.
What is the InChIKey of 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is DCPRXSVGVPLWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-4-6(2-1-3-13)8(14)15-5-7/h1-2,4-5H,3,13H2,(H2,14,15).
What are the key properties of 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine?
3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 217.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminoprop-1-enyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 169464082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).