4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine

C11H12F3IN2O — CID 171392327

IUPAC4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2cc(I)cc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H12F3IN2O/c1-7-6-17(2-3-18-7)10-5-8(15)4-9(16-10)11(12,13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyIOWAEKQMSBDJQG-UHFFFAOYSA-N
MW372.13 g/mol
LogP2.93
Rot. Bonds1

About 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine

4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine (PubChem CID 171392327) has the molecular formula C11H12F3IN2O and a molecular weight of 372.13 g/mol. Its IUPAC name is 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
PubChem CID171392327
Molecular FormulaC11H12F3IN2O
Molecular Weight372.13 g/mol
Exact Mass371.99
IUPAC Name4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine
SMILESCC1CN(c2cc(I)cc(C(F)(F)F)n2)CCO1
InChIInChI=1S/C11H12F3IN2O/c1-7-6-17(2-3-18-7)10-5-8(15)4-9(16-10)11(12,13)14/h4-5,7H,2-3,6H2,1H3
InChIKeyIOWAEKQMSBDJQG-UHFFFAOYSA-N
XLogP2.93
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.13
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]morpholine
CID 162764791
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
[3-iodo-5-(trifluoromethyl)phenyl]-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647263
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
(2S)-4-[2,3-dimethyl-5-[4-(trifluoromethyl)cyclopenta-2,3-dien-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylmorpholine
CID 157044552
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 137008986
4-(5-iodoquinolin-2-yl)-2-methylmorpholine
CID 67098519
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273
4-(2-methyl-1,4-oxazepan-4-yl)-6-(trifluoromethyl)pyridin-3-amine
CID 106747692
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450
methyl 4-methyl-6-[(2R)-2-methylmorpholin-4-yl]pyridine-2-carboxylate
CID 172634298

Frequently Asked Questions

What is the IUPAC name of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
The IUPAC name of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine (CID 171392327) is 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine.
What is the SMILES notation for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
The canonical SMILES for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine is CC1CN(c2cc(I)cc(C(F)(F)F)n2)CCO1.
What is the InChIKey of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
The InChIKey is IOWAEKQMSBDJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3IN2O/c1-7-6-17(2-3-18-7)10-5-8(15)4-9(16-10)11(12,13)14/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine?
4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine has a molecular weight of 372.13 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-iodo-6-(trifluoromethyl)-2-pyridinyl]-2-methylmorpholine is sourced from PubChem (CID 171392327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).