N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine

C21H16F6N2 — CID 24984379

IUPACN,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine
SMILESFC(F)(F)c1cccc(CN=c2ccn(Cc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H16F6N2/c22-20(23,24)17-5-1-3-15(11-17)13-28-19-7-9-29(10-8-19)14-16-4-2-6-18(12-16)21(25,26)27/h1-12H,13-14H2
InChIKeyCHHCZVAXZRVOIV-UHFFFAOYSA-N
MW410.36 g/mol
LogP5.67
Rot. Bonds4

About N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine

N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine (PubChem CID 24984379) has the molecular formula C21H16F6N2 and a molecular weight of 410.36 g/mol. Its IUPAC name is N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine.

Molecular Properties

Compound NameN,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine
PubChem CID24984379
Molecular FormulaC21H16F6N2
Molecular Weight410.36 g/mol
Exact Mass410.12
IUPAC NameN,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine
SMILESFC(F)(F)c1cccc(CN=c2ccn(Cc3cccc(C(F)(F)F)c3)cc2)c1
InChIInChI=1S/C21H16F6N2/c22-20(23,24)17-5-1-3-15(11-17)13-28-19-7-9-29(10-8-19)14-16-4-2-6-18(12-16)21(25,26)27/h1-12H,13-14H2
InChIKeyCHHCZVAXZRVOIV-UHFFFAOYSA-N
XLogP5.67
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine?
The IUPAC name of N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine (CID 24984379) is N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine.
What is the SMILES notation for N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine?
The canonical SMILES for N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine is FC(F)(F)c1cccc(CN=c2ccn(Cc3cccc(C(F)(F)F)c3)cc2)c1.
What is the InChIKey of N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine?
The InChIKey is CHHCZVAXZRVOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F6N2/c22-20(23,24)17-5-1-3-15(11-17)13-28-19-7-9-29(10-8-19)14-16-4-2-6-18(12-16)21(25,26)27/h1-12H,13-14H2.
What are the key properties of N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine?
N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine has a molecular weight of 410.36 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[[3-(trifluoromethyl)phenyl]methyl]pyridin-4-imine is sourced from PubChem (CID 24984379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).