5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine

C7H6F3N3 — CID 167506610

IUPAC5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
SMILES[H]/N=C/c1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-1-5(12)4(2-11)3-13-6/h1-3,11H,(H2,12,13)/b11-2+
InChIKeyKFIYFIQVMXEAJE-BIIKFXOESA-N
MW189.14 g/mol
LogP1.68
Rot. Bonds1

About 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine

5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine (PubChem CID 167506610) has the molecular formula C7H6F3N3 and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine.

Molecular Properties

Compound Name5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
PubChem CID167506610
Molecular FormulaC7H6F3N3
Molecular Weight189.14 g/mol
Exact Mass189.05
IUPAC Name5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine
SMILES[H]/N=C/c1cnc(C(F)(F)F)cc1N
InChIInChI=1S/C7H6F3N3/c8-7(9,10)6-1-5(12)4(2-11)3-13-6/h1-3,11H,(H2,12,13)/b11-2+
InChIKeyKFIYFIQVMXEAJE-BIIKFXOESA-N
XLogP1.68
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106290011
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814
[4-(trifluoromethyl)-3-pyridinyl]methanimine
CID 142976342
[7-iodo-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-4-yl]methanimine
CID 162554793
CID 174801189
CID 174801189
4-N-cyclobutyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 104866691
4-N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106182590
ethane;3-N-methyl-3-N-prop-1-en-2-yl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 144993722
6-(1,1-difluoroethyl)pyridine-3,4-diamine
CID 142460928
4-ethenyl-5-methoxy-2-(trifluoromethyl)pyridine
CID 130679623
[4-methoxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130116089
5-[6-(trifluoromethyl)-3-pyridinyl]pyridin-3-amine
CID 72859012

Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?
The IUPAC name of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine (CID 167506610) is 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine.
What is the SMILES notation for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?
The canonical SMILES for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine is [H]/N=C/c1cnc(C(F)(F)F)cc1N.
What is the InChIKey of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?
The InChIKey is KFIYFIQVMXEAJE-BIIKFXOESA-N. The full InChI is InChI=1S/C7H6F3N3/c8-7(9,10)6-1-5(12)4(2-11)3-13-6/h1-3,11H,(H2,12,13)/b11-2+.
What are the key properties of 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine?
5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine has a molecular weight of 189.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-2-(trifluoromethyl)pyridin-4-amine is sourced from PubChem (CID 167506610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).