2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide

C9H10F3N5 — CID 176940110

IUPAC2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide
SMILESC/N=C/N=C(\N)c1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C9H10F3N5/c1-15-4-17-8(14)5-2-7(13)16-3-6(5)9(10,11)12/h2-4H,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyKMQQQVZCICQLOY-UHFFFAOYSA-N
MW245.21 g/mol
LogP1.05
Rot. Bonds2

About 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide

2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide (PubChem CID 176940110) has the molecular formula C9H10F3N5 and a molecular weight of 245.21 g/mol. Its IUPAC name is 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide
PubChem CID176940110
Molecular FormulaC9H10F3N5
Molecular Weight245.21 g/mol
Exact Mass245.09
IUPAC Name2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide
SMILESC/N=C/N=C(\N)c1cc(N)ncc1C(F)(F)F
InChIInChI=1S/C9H10F3N5/c1-15-4-17-8(14)5-2-7(13)16-3-6(5)9(10,11)12/h2-4H,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyKMQQQVZCICQLOY-UHFFFAOYSA-N
XLogP1.05
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.21
LogP ≤ 51.05
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-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide?
The IUPAC name of 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide (CID 176940110) is 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide.
What is the SMILES notation for 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide?
The canonical SMILES for 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide is C/N=C/N=C(\N)c1cc(N)ncc1C(F)(F)F.
What is the InChIKey of 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide?
The InChIKey is KMQQQVZCICQLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N5/c1-15-4-17-8(14)5-2-7(13)16-3-6(5)9(10,11)12/h2-4H,1H3,(H2,13,16)(H2,14,15,17).
What are the key properties of 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide?
2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide has a molecular weight of 245.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-(methyliminomethyl)-5-(trifluoromethyl)pyridine-4-carboximidamide is sourced from PubChem (CID 176940110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).