6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine

C13H11BrN2O3 — CID 104507278

IUPAC6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccc3c(c2)OCO3)c1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-9(15)5-16-13(12(7)14)19-8-2-3-10-11(4-8)18-6-17-10/h2-5H,6,15H2,1H3
InChIKeyNTWXCWCPVVISJQ-UHFFFAOYSA-N
MW323.15 g/mol
LogP3.26
Rot. Bonds2

About 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine

6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine (PubChem CID 104507278) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
PubChem CID104507278
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC Name6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine
SMILESCc1c(N)cnc(Oc2ccc3c(c2)OCO3)c1Br
InChIInChI=1S/C13H11BrN2O3/c1-7-9(15)5-16-13(12(7)14)19-8-2-3-10-11(4-8)18-6-17-10/h2-5H,6,15H2,1H3
InChIKeyNTWXCWCPVVISJQ-UHFFFAOYSA-N
XLogP3.26
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
CID 62476577
5-bromo-6-(2,3-dihydro-1H-inden-5-yloxy)-4-methylpyridin-3-amine
CID 104507282
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-(4-chloro-3-fluorophenoxy)-4-methylpyridin-3-amine
CID 113420590
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
3-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]benzonitrile
CID 104507270
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
2-(1,3-benzodioxol-5-yloxy)-4-bromoaniline
CID 65342101
3-(1,3-benzodioxol-5-yloxymethyl)-2-methylaniline
CID 43509360
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
2-(1,3-benzodioxol-5-yloxy)-4,5-dimethoxyaniline
CID 83005076

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine (CID 104507278) is 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine is Cc1c(N)cnc(Oc2ccc3c(c2)OCO3)c1Br.
What is the InChIKey of 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine?
The InChIKey is NTWXCWCPVVISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c1-7-9(15)5-16-13(12(7)14)19-8-2-3-10-11(4-8)18-6-17-10/h2-5H,6,15H2,1H3.
What are the key properties of 6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine?
6-(1,3-benzodioxol-5-yloxy)-5-bromo-4-methylpyridin-3-amine has a molecular weight of 323.15 g/mol, XLogP of 3.26, 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-bromo-4-methylpyridin-3-amine is sourced from PubChem (CID 104507278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).