6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine

C13H12N2O3 — CID 62476577

IUPAC6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C13H12N2O3/c1-8-4-9(14)6-15-13(8)18-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7,14H2,1H3
InChIKeyRDSKNRPPAOPWHF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.49
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine

6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine (PubChem CID 62476577) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
PubChem CID62476577
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
SMILESCc1cc(N)cnc1Oc1ccc2c(c1)OCO2
InChIInChI=1S/C13H12N2O3/c1-8-4-9(14)6-15-13(8)18-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7,14H2,1H3
InChIKeyRDSKNRPPAOPWHF-UHFFFAOYSA-N
XLogP2.49
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine (CID 62476577) is 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine is Cc1cc(N)cnc1Oc1ccc2c(c1)OCO2.
What is the InChIKey of 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine?
The InChIKey is RDSKNRPPAOPWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-4-9(14)6-15-13(8)18-10-2-3-11-12(5-10)17-7-16-11/h2-6H,7,14H2,1H3.
What are the key properties of 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine?
6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine has a molecular weight of 244.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine is sourced from PubChem (CID 62476577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).