1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine

C13H16F3N3 — CID 168894159

IUPAC1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H]
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9/h6-9,17-18H,1-5H2/b17-11+,18-12+
InChIKeySHHHEFIRIPAEFC-JYFOCSDGSA-N
MW271.29 g/mol
LogP3.39
Rot. Bonds1

About 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine

1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine (PubChem CID 168894159) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound Name1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
PubChem CID168894159
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine
SMILES[H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H]
InChIInChI=1S/C13H16F3N3/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9/h6-9,17-18H,1-5H2/b17-11+,18-12+
InChIKeySHHHEFIRIPAEFC-JYFOCSDGSA-N
XLogP3.39
TPSA52.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.39
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

1-(Cyclohexanecarboximidoyl)-5-fluoropyridin-2-imine
CID 89624425
1-(2-Propylpentanimidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894032
1-(Cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine;methoxymethane
CID 168894158
1-(Cyclohexanecarboximidoyl)-4-(trifluoromethyl)pyridin-2-imine
CID 168894242
cis-(1R,3S)-3-[2-imino-4-(trifluoromethyl)pyridine-1-carboximidoyl]cyclohexan-1-amine
CID 169840789
1-(Cyclohexanecarboximidoyl)-4-fluoropyridin-2-imine
CID 169840914
1-(Cyclohexanecarboximidoyl)-3-(trifluoromethyl)pyridin-2-imine
CID 169841450
1-(Cyclohexanecarboximidoyl)pyridin-2-imine
CID 168893732
5-Methyl-1-(2-propylpentanimidoyl)pyridin-2-imine
CID 168894107
1-(Cyclohexanecarboximidoyl)-5-methylpyridin-2-imine
CID 168894222
2-[1-(Cyclohexanecarboximidoyl)-6-imino-3-pyridinyl]ethynyl thiohypoiodite
CID 169843461
1-(Cyclohexanecarboximidoyl)-5-ethynylpyridin-2-imine
CID 168894057

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine (CID 168894159) is 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine is [H]/N=C(\C1CCCCC1)n1cc(C(F)(F)F)cc/c1=N\[H].
What is the InChIKey of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine?
The InChIKey is SHHHEFIRIPAEFC-JYFOCSDGSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)10-6-7-11(17)19(8-10)12(18)9-4-2-1-3-5-9/h6-9,17-18H,1-5H2/b17-11+,18-12+.
What are the key properties of 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine?
1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine has a molecular weight of 271.29 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarboximidoyl)-5-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 168894159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).