(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol

C20H18N2O4 — CID 67591829

IUPAC(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1c2cc(OCc3ccccn3)ccc2OC[C@H]1Oc1cccnc1
InChIInChI=1S/C20H18N2O4/c23-20-17-10-15(24-12-14-4-1-2-9-22-14)6-7-18(17)25-13-19(20)26-16-5-3-8-21-11-16/h1-11,19-20,23H,12-13H2/t19-,20+/m1/s1
InChIKeyZALGZYYNCLPHLE-UXHICEINSA-N
MW350.37 g/mol
LogP2.93
Rot. Bonds5

About (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol

(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 67591829) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID67591829
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@H]1c2cc(OCc3ccccn3)ccc2OC[C@H]1Oc1cccnc1
InChIInChI=1S/C20H18N2O4/c23-20-17-10-15(24-12-14-4-1-2-9-22-14)6-7-18(17)25-13-19(20)26-16-5-3-8-21-11-16/h1-11,19-20,23H,12-13H2/t19-,20+/m1/s1
InChIKeyZALGZYYNCLPHLE-UXHICEINSA-N
XLogP2.93
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (CID 67591829) is (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is O[C@H]1c2cc(OCc3ccccn3)ccc2OC[C@H]1Oc1cccnc1.
What is the InChIKey of (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ZALGZYYNCLPHLE-UXHICEINSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-20-17-10-15(24-12-14-4-1-2-9-22-14)6-7-18(17)25-13-19(20)26-16-5-3-8-21-11-16/h1-11,19-20,23H,12-13H2/t19-,20+/m1/s1.
What are the key properties of (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 350.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 67591829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).