2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine

C13H12N2O2 — CID 83918218

IUPAC2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(-c2ccc3c(c2)OCO3)c(N)c1
InChIInChI=1S/C13H12N2O2/c1-8-4-10(14)13(15-6-8)9-2-3-11-12(5-9)17-7-16-11/h2-6H,7,14H2,1H3
InChIKeyWFNQZYIALBZSAE-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.37
Rot. Bonds1

About 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine

2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine (PubChem CID 83918218) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
PubChem CID83918218
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(-c2ccc3c(c2)OCO3)c(N)c1
InChIInChI=1S/C13H12N2O2/c1-8-4-10(14)13(15-6-8)9-2-3-11-12(5-9)17-7-16-11/h2-6H,7,14H2,1H3
InChIKeyWFNQZYIALBZSAE-UHFFFAOYSA-N
XLogP2.37
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
2-(1,3-benzodioxol-5-yl)-6-methyl-1H-imidazo[4,5-b]pyridine
CID 79795462
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methylaniline
CID 82766369
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
4-(1,3-benzodioxol-5-yl)-5-propan-2-ylpyrimidine
CID 146252856
methane;5-methyl-1,3-benzodioxole;1,4-xylene
CID 160857167
5-(1,3-benzodioxol-5-yl)-4-methyl-2-propan-2-ylpyridine
CID 144787170

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine (CID 83918218) is 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine is Cc1cnc(-c2ccc3c(c2)OCO3)c(N)c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine?
The InChIKey is WFNQZYIALBZSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-8-4-10(14)13(15-6-8)9-2-3-11-12(5-9)17-7-16-11/h2-6H,7,14H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine?
2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine has a molecular weight of 228.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 83918218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).