(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol

C15H12F3NO3 — CID 129388315

IUPAC(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
SMILESO[C@@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)22-11-5-3-10(4-6-11)14(20)7-9-21-12-2-1-8-19-13(12)14/h1-6,8,20H,7,9H2/t14-/m1/s1
InChIKeyIHVXAAHVLUJSRI-CQSZACIVSA-N
MW311.26 g/mol
LogP3.00
Rot. Bonds2

About (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol

(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol (PubChem CID 129388315) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol.

Molecular Properties

Compound Name(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
PubChem CID129388315
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol
SMILESO[C@@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21
InChIInChI=1S/C15H12F3NO3/c16-15(17,18)22-11-5-3-10(4-6-11)14(20)7-9-21-12-2-1-8-19-13(12)14/h1-6,8,20H,7,9H2/t14-/m1/s1
InChIKeyIHVXAAHVLUJSRI-CQSZACIVSA-N
XLogP3.00
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol?
The IUPAC name of (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol (CID 129388315) is (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol.
What is the SMILES notation for (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol?
The canonical SMILES for (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol is O[C@@]1(c2ccc(OC(F)(F)F)cc2)CCOc2cccnc21.
What is the InChIKey of (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol?
The InChIKey is IHVXAAHVLUJSRI-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12F3NO3/c16-15(17,18)22-11-5-3-10(4-6-11)14(20)7-9-21-12-2-1-8-19-13(12)14/h1-6,8,20H,7,9H2/t14-/m1/s1.
What are the key properties of (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol?
(4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol has a molecular weight of 311.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-ol is sourced from PubChem (CID 129388315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).