2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide

C11H15F3N4 — CID 114768980

IUPAC2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4/c1-3-18(6-11(12,13)14)9-5-8(10(15)16)4-7(2)17-9/h4-5H,3,6H2,1-2H3,(H3,15,16)
InChIKeyLFJIYOYRYOFQCI-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.06
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide

2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 114768980) has the molecular formula C11H15F3N4 and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID114768980
Molecular FormulaC11H15F3N4
Molecular Weight260.26 g/mol
Exact Mass260.12
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(CC)CC(F)(F)F)c1
InChIInChI=1S/C11H15F3N4/c1-3-18(6-11(12,13)14)9-5-8(10(15)16)4-7(2)17-9/h4-5H,3,6H2,1-2H3,(H3,15,16)
InChIKeyLFJIYOYRYOFQCI-UHFFFAOYSA-N
XLogP2.06
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide (CID 114768980) is 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(CC)CC(F)(F)F)c1.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is LFJIYOYRYOFQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4/c1-3-18(6-11(12,13)14)9-5-8(10(15)16)4-7(2)17-9/h4-5H,3,6H2,1-2H3,(H3,15,16).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide?
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 260.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114768980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).