(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene

C16H17F3N2O2 — CID 144569861

IUPAC(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene
SMILESCc1cccc(OC(F)(F)F)c1.N[C@@H]1CCOc2cccnc21
InChIInChI=1S/C8H7F3O.C8H10N2O/c1-6-3-2-4-7(5-6)12-8(9,10)11;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-5H,1H3;1-2,4,6H,3,5,9H2/t;6-/m.1/s1
InChIKeyQJOXLWFEKBXFQX-FCXZQVPUSA-N
MW326.32 g/mol
LogP3.76
Rot. Bonds1

About (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene

(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene (PubChem CID 144569861) has the molecular formula C16H17F3N2O2 and a molecular weight of 326.32 g/mol. Its IUPAC name is (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene
PubChem CID144569861
Molecular FormulaC16H17F3N2O2
Molecular Weight326.32 g/mol
Exact Mass326.12
IUPAC Name(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene
SMILESCc1cccc(OC(F)(F)F)c1.N[C@@H]1CCOc2cccnc21
InChIInChI=1S/C8H7F3O.C8H10N2O/c1-6-3-2-4-7(5-6)12-8(9,10)11;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-5H,1H3;1-2,4,6H,3,5,9H2/t;6-/m.1/s1
InChIKeyQJOXLWFEKBXFQX-FCXZQVPUSA-N
XLogP3.76
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene?
The IUPAC name of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene (CID 144569861) is (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene is Cc1cccc(OC(F)(F)F)c1.N[C@@H]1CCOc2cccnc21.
What is the InChIKey of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene?
The InChIKey is QJOXLWFEKBXFQX-FCXZQVPUSA-N. The full InChI is InChI=1S/C8H7F3O.C8H10N2O/c1-6-3-2-4-7(5-6)12-8(9,10)11;9-6-3-5-11-7-2-1-4-10-8(6)7/h2-5H,1H3;1-2,4,6H,3,5,9H2/t;6-/m.1/s1.
What are the key properties of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene?
(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene has a molecular weight of 326.32 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;1-methyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 144569861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).