6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine

C14H14N2O3 — CID 163259502

IUPAC6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine
SMILESCOc1nc(-c2cccc3c2OCCO3)ccc1N
InChIInChI=1S/C14H14N2O3/c1-17-14-10(15)5-6-11(16-14)9-3-2-4-12-13(9)19-8-7-18-12/h2-6H,7-8,15H2,1H3
InChIKeyYLFTUDMACVHHHD-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.11
Rot. Bonds2

About 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine

6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine (PubChem CID 163259502) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine
PubChem CID163259502
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine
SMILESCOc1nc(-c2cccc3c2OCCO3)ccc1N
InChIInChI=1S/C14H14N2O3/c1-17-14-10(15)5-6-11(16-14)9-3-2-4-12-13(9)19-8-7-18-12/h2-6H,7-8,15H2,1H3
InChIKeyYLFTUDMACVHHHD-UHFFFAOYSA-N
XLogP2.11
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine?
The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine (CID 163259502) is 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine?
The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine is COc1nc(-c2cccc3c2OCCO3)ccc1N.
What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine?
The InChIKey is YLFTUDMACVHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-17-14-10(15)5-6-11(16-14)9-3-2-4-12-13(9)19-8-7-18-12/h2-6H,7-8,15H2,1H3.
What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine?
6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine has a molecular weight of 258.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 163259502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).