[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol

C15H16N2O4 — CID 167929649

IUPAC[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
SMILESCOc1nc(-c2cc3c(cc2CO)OCCO3)ccc1N
InChIInChI=1S/C15H16N2O4/c1-19-15-11(16)2-3-12(17-15)10-7-14-13(6-9(10)8-18)20-4-5-21-14/h2-3,6-7,18H,4-5,8,16H2,1H3
InChIKeyMTOBNZBWYWUEQL-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.60
Rot. Bonds3

About [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol

[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol (PubChem CID 167929649) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol.

Molecular Properties

Compound Name[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
PubChem CID167929649
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
SMILESCOc1nc(-c2cc3c(cc2CO)OCCO3)ccc1N
InChIInChI=1S/C15H16N2O4/c1-19-15-11(16)2-3-12(17-15)10-7-14-13(6-9(10)8-18)20-4-5-21-14/h2-3,6-7,18H,4-5,8,16H2,1H3
InChIKeyMTOBNZBWYWUEQL-UHFFFAOYSA-N
XLogP1.60
TPSA86.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The IUPAC name of [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol (CID 167929649) is [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol.
What is the SMILES notation for [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The canonical SMILES for [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol is COc1nc(-c2cc3c(cc2CO)OCCO3)ccc1N.
What is the InChIKey of [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
The InChIKey is MTOBNZBWYWUEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-19-15-11(16)2-3-12(17-15)10-7-14-13(6-9(10)8-18)20-4-5-21-14/h2-3,6-7,18H,4-5,8,16H2,1H3.
What are the key properties of [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol?
[6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol has a molecular weight of 288.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol is sourced from PubChem (CID 167929649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).