6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide

C9H11F3N4 — CID 170084987

IUPAC6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)cc1NCC(F)(F)F
InChIInChI=1S/C9H11F3N4/c1-5-2-7(16-4-9(10,11)12)6(3-15-5)8(13)14/h2-3H,4H2,1H3,(H3,13,14)(H,15,16)
InChIKeyVQYQUPMZDORPJU-UHFFFAOYSA-N
MW232.21 g/mol
LogP1.65
Rot. Bonds3

About 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide

6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide (PubChem CID 170084987) has the molecular formula C9H11F3N4 and a molecular weight of 232.21 g/mol. Its IUPAC name is 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide
PubChem CID170084987
Molecular FormulaC9H11F3N4
Molecular Weight232.21 g/mol
Exact Mass232.09
IUPAC Name6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)cc1NCC(F)(F)F
InChIInChI=1S/C9H11F3N4/c1-5-2-7(16-4-9(10,11)12)6(3-15-5)8(13)14/h2-3H,4H2,1H3,(H3,13,14)(H,15,16)
InChIKeyVQYQUPMZDORPJU-UHFFFAOYSA-N
XLogP1.65
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 51.65
H-Bond Donors ≤ 53
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 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide?
The IUPAC name of 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide (CID 170084987) is 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide.
What is the SMILES notation for 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide?
The canonical SMILES for 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide is [H]/N=C(\N)c1cnc(C)cc1NCC(F)(F)F.
What is the InChIKey of 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide?
The InChIKey is VQYQUPMZDORPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4/c1-5-2-7(16-4-9(10,11)12)6(3-15-5)8(13)14/h2-3H,4H2,1H3,(H3,13,14)(H,15,16).
What are the key properties of 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide?
6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide has a molecular weight of 232.21 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 170084987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).