(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine

C14H13F4N3O2 — CID 144570066

IUPAC(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine
SMILESFc1cccnc1OC(F)(F)F.N[C@@H]1CCOc2cccnc21
InChIInChI=1S/C8H10N2O.C6H3F4NO/c9-6-3-5-11-7-2-1-4-10-8(6)7;7-4-2-1-3-11-5(4)12-6(8,9)10/h1-2,4,6H,3,5,9H2;1-3H/t6-;/m1./s1
InChIKeyJNBJEQMHXSBRNI-FYZOBXCZSA-N
MW331.27 g/mol
LogP2.98
Rot. Bonds1

About (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine

(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine (PubChem CID 144570066) has the molecular formula C14H13F4N3O2 and a molecular weight of 331.27 g/mol. Its IUPAC name is (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine
PubChem CID144570066
Molecular FormulaC14H13F4N3O2
Molecular Weight331.27 g/mol
Exact Mass331.09
IUPAC Name(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine
SMILESFc1cccnc1OC(F)(F)F.N[C@@H]1CCOc2cccnc21
InChIInChI=1S/C8H10N2O.C6H3F4NO/c9-6-3-5-11-7-2-1-4-10-8(6)7;7-4-2-1-3-11-5(4)12-6(8,9)10/h1-2,4,6H,3,5,9H2;1-3H/t6-;/m1./s1
InChIKeyJNBJEQMHXSBRNI-FYZOBXCZSA-N
XLogP2.98
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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;3-fluoro-2-(trifluoromethoxy)pyridine?
The IUPAC name of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine (CID 144570066) is (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine?
The canonical SMILES for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine is Fc1cccnc1OC(F)(F)F.N[C@@H]1CCOc2cccnc21.
What is the InChIKey of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine?
The InChIKey is JNBJEQMHXSBRNI-FYZOBXCZSA-N. The full InChI is InChI=1S/C8H10N2O.C6H3F4NO/c9-6-3-5-11-7-2-1-4-10-8(6)7;7-4-2-1-3-11-5(4)12-6(8,9)10/h1-2,4,6H,3,5,9H2;1-3H/t6-;/m1./s1.
What are the key properties of (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine?
(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine has a molecular weight of 331.27 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;3-fluoro-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 144570066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).