2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine

C8H8F3N3 — CID 135229191

IUPAC2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESC/N=C/c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3/c1-13-4-7-6(12)2-5(3-14-7)8(9,10)11/h2-4H,12H2,1H3/b13-4+
InChIKeyRPKBYIGFGZHTAU-YIXHJXPBSA-N
MW203.17 g/mol
LogP1.73
Rot. Bonds1

About 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine

2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 135229191) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID135229191
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine
SMILESC/N=C/c1ncc(C(F)(F)F)cc1N
InChIInChI=1S/C8H8F3N3/c1-13-4-7-6(12)2-5(3-14-7)8(9,10)11/h2-4H,12H2,1H3/b13-4+
InChIKeyRPKBYIGFGZHTAU-YIXHJXPBSA-N
XLogP1.73
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine (CID 135229191) is 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine is C/N=C/c1ncc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is RPKBYIGFGZHTAU-YIXHJXPBSA-N. The full InChI is InChI=1S/C8H8F3N3/c1-13-4-7-6(12)2-5(3-14-7)8(9,10)11/h2-4H,12H2,1H3/b13-4+.
What are the key properties of 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine?
2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 203.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methyliminomethyl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 135229191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).