N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine

C11H11ClF3N3O — CID 2801651

IUPACN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine
SMILESFC(F)(F)c1cnc(N=CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H11ClF3N3O/c12-9-5-8(11(13,14)15)6-16-10(9)17-7-18-1-3-19-4-2-18/h5-7H,1-4H2
InChIKeyDENKVNRSWVOCIQ-UHFFFAOYSA-N
MW293.68 g/mol
LogP2.75
Rot. Bonds2

About N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine (PubChem CID 2801651) has the molecular formula C11H11ClF3N3O and a molecular weight of 293.68 g/mol. Its IUPAC name is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine.

Molecular Properties

Compound NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine
PubChem CID2801651
Molecular FormulaC11H11ClF3N3O
Molecular Weight293.68 g/mol
Exact Mass293.05
IUPAC NameN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine
SMILESFC(F)(F)c1cnc(N=CN2CCOCC2)c(Cl)c1
InChIInChI=1S/C11H11ClF3N3O/c12-9-5-8(11(13,14)15)6-16-10(9)17-7-18-1-3-19-4-2-18/h5-7H,1-4H2
InChIKeyDENKVNRSWVOCIQ-UHFFFAOYSA-N
XLogP2.75
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.68
LogP ≤ 52.75
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine?
The IUPAC name of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine (CID 2801651) is N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine.
What is the SMILES notation for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine?
The canonical SMILES for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine is FC(F)(F)c1cnc(N=CN2CCOCC2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine?
The InChIKey is DENKVNRSWVOCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3O/c12-9-5-8(11(13,14)15)6-16-10(9)17-7-18-1-3-19-4-2-18/h5-7H,1-4H2.
What are the key properties of N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine?
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine has a molecular weight of 293.68 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine is sourced from PubChem (CID 2801651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).