2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

C10H10F6N4 — CID 79877125

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(F)(F)F
InChIInChI=1S/C10H10F6N4/c1-20(4-9(11,12)13)8-5(7(17)18)2-3-6(19-8)10(14,15)16/h2-3H,4H2,1H3,(H3,17,18)
InChIKeyDCOJGOKRPHIFFL-UHFFFAOYSA-N
MW300.21 g/mol
LogP2.38
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide

2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (PubChem CID 79877125) has the molecular formula C10H10F6N4 and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
PubChem CID79877125
Molecular FormulaC10H10F6N4
Molecular Weight300.21 g/mol
Exact Mass300.08
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(F)(F)F
InChIInChI=1S/C10H10F6N4/c1-20(4-9(11,12)13)8-5(7(17)18)2-3-6(19-8)10(14,15)16/h2-3H,4H2,1H3,(H3,17,18)
InChIKeyDCOJGOKRPHIFFL-UHFFFAOYSA-N
XLogP2.38
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 52.38
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-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide (CID 79877125) is 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C(F)(F)F)nc1N(C)CC(F)(F)F.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
The InChIKey is DCOJGOKRPHIFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N4/c1-20(4-9(11,12)13)8-5(7(17)18)2-3-6(19-8)10(14,15)16/h2-3H,4H2,1H3,(H3,17,18).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide?
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide has a molecular weight of 300.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 79877125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).