2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

C12H15BrF3N3O2 — CID 57368736

IUPAC2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br
InChIInChI=1S/C12H15BrF3N3O2/c13-10-8(12(14,15)16)7-9(18-11(10)17-1-4-20)19-2-5-21-6-3-19/h7,20H,1-6H2,(H,17,18)
InChIKeyKANJFFCHKIXULA-UHFFFAOYSA-N
MW370.17 g/mol
LogP2.10
Rot. Bonds4

About 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol

2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 57368736) has the molecular formula C12H15BrF3N3O2 and a molecular weight of 370.17 g/mol. Its IUPAC name is 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID57368736
Molecular FormulaC12H15BrF3N3O2
Molecular Weight370.17 g/mol
Exact Mass369.03
IUPAC Name2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br
InChIInChI=1S/C12H15BrF3N3O2/c13-10-8(12(14,15)16)7-9(18-11(10)17-1-4-20)19-2-5-21-6-3-19/h7,20H,1-6H2,(H,17,18)
InChIKeyKANJFFCHKIXULA-UHFFFAOYSA-N
XLogP2.10
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.17
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 57368736) is 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OCCNc1nc(N2CCOCC2)cc(C(F)(F)F)c1Br.
What is the InChIKey of 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is KANJFFCHKIXULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF3N3O2/c13-10-8(12(14,15)16)7-9(18-11(10)17-1-4-20)19-2-5-21-6-3-19/h7,20H,1-6H2,(H,17,18).
What are the key properties of 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 370.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 57368736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).