2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine

C12H13BrClF3N2O — CID 102937213

IUPAC2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
SMILESCC1CN(c2ncc(C(F)(F)F)cc2Cl)CC(CBr)O1
InChIInChI=1S/C12H13BrClF3N2O/c1-7-5-19(6-9(3-13)20-7)11-10(14)2-8(4-18-11)12(15,16)17/h2,4,7,9H,3,5-6H2,1H3
InChIKeySZQYVLCWARJELL-UHFFFAOYSA-N
MW373.60 g/mol
LogP3.74
Rot. Bonds2

About 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine

2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine (PubChem CID 102937213) has the molecular formula C12H13BrClF3N2O and a molecular weight of 373.60 g/mol. Its IUPAC name is 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
PubChem CID102937213
Molecular FormulaC12H13BrClF3N2O
Molecular Weight373.60 g/mol
Exact Mass371.99
IUPAC Name2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine
SMILESCC1CN(c2ncc(C(F)(F)F)cc2Cl)CC(CBr)O1
InChIInChI=1S/C12H13BrClF3N2O/c1-7-5-19(6-9(3-13)20-7)11-10(14)2-8(4-18-11)12(15,16)17/h2,4,7,9H,3,5-6H2,1H3
InChIKeySZQYVLCWARJELL-UHFFFAOYSA-N
XLogP3.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.60
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-3-chloro-2-pyridinyl)-2-(bromomethyl)-6-methylmorpholine
CID 103584210
4-(5-bromo-3-chloro-2-pyridinyl)-2-(chloromethyl)-6-methylmorpholine
CID 103584209
[4-(5-bromo-3-chloro-2-pyridinyl)-6-methylmorpholin-2-yl]methanamine
CID 103584271
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
2-(bromomethyl)-4-(3-bromo-5-methyl-2-pyridinyl)-6-methylmorpholine
CID 102937171
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779306
2-(bromomethyl)-4-(5-tert-butyl-2-pyridinyl)-6-methylmorpholine
CID 107875654
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]acetic acid
CID 64616049
(2S)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 25407982
2-(bromomethyl)-6-methyl-4-(3-methylpyrazin-2-yl)morpholine
CID 102937224

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine (CID 102937213) is 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine is CC1CN(c2ncc(C(F)(F)F)cc2Cl)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine?
The InChIKey is SZQYVLCWARJELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClF3N2O/c1-7-5-19(6-9(3-13)20-7)11-10(14)2-8(4-18-11)12(15,16)17/h2,4,7,9H,3,5-6H2,1H3.
What are the key properties of 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine?
2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine has a molecular weight of 373.60 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 2-(bromomethyl)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methylmorpholine is sourced from PubChem (CID 102937213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).