(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol

C20H19NO3 — CID 129362423

IUPAC(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol
SMILESO[C@@H](c1cccnc1)c1ccc2cc(C3OCCCO3)ccc2c1
InChIInChI=1S/C20H19NO3/c22-19(18-3-1-8-21-13-18)16-6-4-15-12-17(7-5-14(15)11-16)20-23-9-2-10-24-20/h1,3-8,11-13,19-20,22H,2,9-10H2/t19-/m1/s1
InChIKeyWBUQGJKFJTWEPK-LJQANCHMSA-N
MW321.38 g/mol
LogP3.75
Rot. Bonds3

About (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol

(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol (PubChem CID 129362423) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol
PubChem CID129362423
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol
SMILESO[C@@H](c1cccnc1)c1ccc2cc(C3OCCCO3)ccc2c1
InChIInChI=1S/C20H19NO3/c22-19(18-3-1-8-21-13-18)16-6-4-15-12-17(7-5-14(15)11-16)20-23-9-2-10-24-20/h1,3-8,11-13,19-20,22H,2,9-10H2/t19-/m1/s1
InChIKeyWBUQGJKFJTWEPK-LJQANCHMSA-N
XLogP3.75
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-dioxan-2-yl(pyridin-3-yl)methanol
CID 65350860
(4-bromo-3-methylphenyl)-pyridin-3-ylmethanol
CID 81447903
[oxolan-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105229176
(3,5-dichlorophenyl)-pyridin-3-ylmethanol
CID 63900537
N-[3-(1,3-dioxolan-2-yl)phenyl]pyridin-3-amine
CID 21071445
1,2-oxazol-4-yl(pyridin-3-yl)methanol
CID 91481512
(3-methyl-4-phenoxyphenyl)-pyridin-3-ylmethanol
CID 70620359
3-[hydroxy(pyridin-3-yl)methyl]benzonitrile
CID 14989408
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
(1-methyl-2,3-dihydroindol-5-yl)-pyridin-3-ylmethanol
CID 63899931
(S)-[4-(dimethylamino)phenyl]-pyridin-3-ylmethanol
CID 129369618
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689

Frequently Asked Questions

What is the IUPAC name of (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol?
The IUPAC name of (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol (CID 129362423) is (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol?
The canonical SMILES for (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol is O[C@@H](c1cccnc1)c1ccc2cc(C3OCCCO3)ccc2c1.
What is the InChIKey of (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol?
The InChIKey is WBUQGJKFJTWEPK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H19NO3/c22-19(18-3-1-8-21-13-18)16-6-4-15-12-17(7-5-14(15)11-16)20-23-9-2-10-24-20/h1,3-8,11-13,19-20,22H,2,9-10H2/t19-/m1/s1.
What are the key properties of (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol?
(R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol has a molecular weight of 321.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[6-(1,3-dioxan-2-yl)naphthalen-2-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 129362423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).