N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine

C17H14ClF5N2O2 — CID 166817078

IUPACN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine
SMILESCn1cc(C(F)(F)F)cc(OC(F)F)/c1=N/C1CCOc2c(Cl)cccc21
InChIInChI=1S/C17H14ClF5N2O2/c1-25-8-9(17(21,22)23)7-13(27-16(19)20)15(25)24-12-5-6-26-14-10(12)3-2-4-11(14)18/h2-4,7-8,12,16H,5-6H2,1H3/b24-15-
InChIKeyHHJXVTUTBDAJRV-IWIPYMOSSA-N
MW408.75 g/mol
LogP4.72
Rot. Bonds3

About N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine

N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine (PubChem CID 166817078) has the molecular formula C17H14ClF5N2O2 and a molecular weight of 408.75 g/mol. Its IUPAC name is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine.

Molecular Properties

Compound NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine
PubChem CID166817078
Molecular FormulaC17H14ClF5N2O2
Molecular Weight408.75 g/mol
Exact Mass408.07
IUPAC NameN-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine
SMILESCn1cc(C(F)(F)F)cc(OC(F)F)/c1=N/C1CCOc2c(Cl)cccc21
InChIInChI=1S/C17H14ClF5N2O2/c1-25-8-9(17(21,22)23)7-13(27-16(19)20)15(25)24-12-5-6-26-14-10(12)3-2-4-11(14)18/h2-4,7-8,12,16H,5-6H2,1H3/b24-15-
InChIKeyHHJXVTUTBDAJRV-IWIPYMOSSA-N
XLogP4.72
TPSA35.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.75
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine?
The IUPAC name of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine (CID 166817078) is N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine.
What is the SMILES notation for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine?
The canonical SMILES for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine is Cn1cc(C(F)(F)F)cc(OC(F)F)/c1=N/C1CCOc2c(Cl)cccc21.
What is the InChIKey of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine?
The InChIKey is HHJXVTUTBDAJRV-IWIPYMOSSA-N. The full InChI is InChI=1S/C17H14ClF5N2O2/c1-25-8-9(17(21,22)23)7-13(27-16(19)20)15(25)24-12-5-6-26-14-10(12)3-2-4-11(14)18/h2-4,7-8,12,16H,5-6H2,1H3/b24-15-.
What are the key properties of N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine?
N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine has a molecular weight of 408.75 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(difluoromethoxy)-1-methyl-5-(trifluoromethyl)pyridin-2-imine is sourced from PubChem (CID 166817078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).