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

C20H18N2O4 — CID 19600765

IUPAC6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESOC1c2cc(OCc3cccnc3)ccc2OCC1Oc1cccnc1
InChIInChI=1S/C20H18N2O4/c23-20-17-9-15(24-12-14-3-1-7-21-10-14)5-6-18(17)25-13-19(20)26-16-4-2-8-22-11-16/h1-11,19-20,23H,12-13H2
InChIKeyARVHLCHEDJHCNP-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.93
Rot. Bonds5

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

6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 19600765) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID19600765
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
SMILESOC1c2cc(OCc3cccnc3)ccc2OCC1Oc1cccnc1
InChIInChI=1S/C20H18N2O4/c23-20-17-9-15(24-12-14-3-1-7-21-10-14)5-6-18(17)25-13-19(20)26-16-4-2-8-22-11-16/h1-11,19-20,23H,12-13H2
InChIKeyARVHLCHEDJHCNP-UHFFFAOYSA-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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Related Compounds

(3R,4S)-6-(pyridin-2-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol
CID 67591829
3-[(6-methyl-3-pyridinyl)oxy]-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 19991535
(3S,4R)-3-pyridin-3-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 18647516
(3S,4S)-6-[(4-methoxy-2-pyridinyl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol
CID 18647531
(3R,4R)-6-[(3-bromo-6-methyl-2-pyridinyl)methoxy]-3-(pyridin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67946902
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3-[3-(methoxymethyl)phenoxy]-3,4-dihydro-2H-chromen-4-ol
CID 63984229
N-[[(3R)-6-(pyridin-3-ylmethoxy)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-oxazole-2-carboxamide
CID 139362343
(3R,4S)-6-(pyridin-2-ylmethoxy)-3-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67591819
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
3-propan-2-yloxy-6-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-chromen-4-ol
CID 14422695

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol (CID 19600765) is 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is OC1c2cc(OCc3cccnc3)ccc2OCC1Oc1cccnc1.
What is the InChIKey of 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is ARVHLCHEDJHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-20-17-9-15(24-12-14-3-1-7-21-10-14)5-6-18(17)25-13-19(20)26-16-4-2-8-22-11-16/h1-11,19-20,23H,12-13H2.
What are the key properties of 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol?
6-(pyridin-3-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 6-(pyridin-3-ylmethoxy)-3-pyridin-3-yloxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 19600765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).