N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide

C14H8F3N3 — CID 101120862

IUPACN-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide
SMILESN#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H8F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-13(9-18)10-4-6-19-7-5-10/h1-8H/b20-13+
InChIKeyHTEZBSXPWOIPJJ-DEDYPNTBSA-N
MW275.23 g/mol
LogP3.74
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide

N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide (PubChem CID 101120862) has the molecular formula C14H8F3N3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide
PubChem CID101120862
Molecular FormulaC14H8F3N3
Molecular Weight275.23 g/mol
Exact Mass275.07
IUPAC NameN-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide
SMILESN#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccncc1
InChIInChI=1S/C14H8F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-13(9-18)10-4-6-19-7-5-10/h1-8H/b20-13+
InChIKeyHTEZBSXPWOIPJJ-DEDYPNTBSA-N
XLogP3.74
TPSA49.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-[3-(trifluoromethyl)phenyl]-3-trimethylsilylprop-2-yn-1-imine
CID 11501101
(Z)-3-chloro-2-pyridin-4-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 80525441
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
(4-cyanophenyl) N-[3-(trifluoromethyl)phenyl]benzenecarboximidate
CID 11057634
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 114287868
4,4,4-trifluoro-N-methylidene-N'-[3-(trifluoromethyl)phenyl]butanimidamide
CID 143835208
2-methyl-N'-[3-(trifluoromethyl)phenyl]propanimidamide
CID 58663964
dihydroxy(oxo)azanium;2-[3-(trifluoromethyl)phenyl]guanidine
CID 6333667
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
N'-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidamide
CID 3421241
5-[[3-(trifluoromethyl)phenyl]diazenyl]pyrimidine-2,4,6-triamine
CID 121224764
pyridin-4-yl-[3-(trifluoromethyl)phenyl]methanol
CID 11425288

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide (CID 101120862) is N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide is N#C/C(=N\c1cccc(C(F)(F)F)c1)c1ccncc1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide?
The InChIKey is HTEZBSXPWOIPJJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C14H8F3N3/c15-14(16,17)11-2-1-3-12(8-11)20-13(9-18)10-4-6-19-7-5-10/h1-8H/b20-13+.
What are the key properties of N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide?
N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide has a molecular weight of 275.23 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]pyridine-4-carboximidoyl cyanide is sourced from PubChem (CID 101120862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).