2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide

C9H11F3N4 — CID 60891190

IUPAC2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC(F)(F)F)c1
InChIInChI=1S/C9H11F3N4/c1-16(5-9(10,11)12)7-4-6(8(13)14)2-3-15-7/h2-4H,5H2,1H3,(H3,13,14)
InChIKeyLBQPQHKYKJTKOF-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.36
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide

2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide (PubChem CID 60891190) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
PubChem CID60891190
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC(F)(F)F)c1
InChIInChI=1S/C9H11F3N4/c1-16(5-9(10,11)12)7-4-6(8(13)14)2-3-15-7/h2-4H,5H2,1H3,(H3,13,14)
InChIKeyLBQPQHKYKJTKOF-UHFFFAOYSA-N
XLogP1.36
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.36
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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Related Compounds

2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
CID 61416094
2-(trifluoromethyl)pyridine-4-carboximidamide
CID 119009176
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
CID 54985064
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide (CID 60891190) is 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)CC(F)(F)F)c1.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
The InChIKey is LBQPQHKYKJTKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-16(5-9(10,11)12)7-4-6(8(13)14)2-3-15-7/h2-4H,5H2,1H3,(H3,13,14).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide?
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide has a molecular weight of 232.21 g/mol, XLogP of 1.36, 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]pyridine-4-carboximidamide is sourced from PubChem (CID 60891190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).