6-(1,3-benzodioxol-5-yl)pyridin-3-amine

C12H10N2O2 — CID 82394049

IUPAC6-(1,3-benzodioxol-5-yl)pyridin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C12H10N2O2/c13-9-2-3-10(14-6-9)8-1-4-11-12(5-8)16-7-15-11/h1-6H,7,13H2
InChIKeyCFVTWWPWDMKVJY-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.06
Rot. Bonds1

About 6-(1,3-benzodioxol-5-yl)pyridin-3-amine

6-(1,3-benzodioxol-5-yl)pyridin-3-amine (PubChem CID 82394049) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yl)pyridin-3-amine
PubChem CID82394049
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-(1,3-benzodioxol-5-yl)pyridin-3-amine
SMILESNc1ccc(-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C12H10N2O2/c13-9-2-3-10(14-6-9)8-1-4-11-12(5-8)16-7-15-11/h1-6H,7,13H2
InChIKeyCFVTWWPWDMKVJY-UHFFFAOYSA-N
XLogP2.06
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
CID 83918221
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
6-[4-(5-amino-2-pyridinyl)phenyl]pyridin-3-amine
CID 25187082
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
3-(1,3-benzodioxol-5-yl)-1-methylpyrazol-5-amine
CID 43158870
3-[3-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazin-6-yl]aniline
CID 155550651
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
2-(1,3-benzodioxol-5-yl)-5-methylpyridin-3-amine
CID 83918218
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-amine
CID 116827033

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yl)pyridin-3-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yl)pyridin-3-amine (CID 82394049) is 6-(1,3-benzodioxol-5-yl)pyridin-3-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yl)pyridin-3-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yl)pyridin-3-amine is Nc1ccc(-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yl)pyridin-3-amine?
The InChIKey is CFVTWWPWDMKVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-9-2-3-10(14-6-9)8-1-4-11-12(5-8)16-7-15-11/h1-6H,7,13H2.
What are the key properties of 6-(1,3-benzodioxol-5-yl)pyridin-3-amine?
6-(1,3-benzodioxol-5-yl)pyridin-3-amine has a molecular weight of 214.22 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yl)pyridin-3-amine is sourced from PubChem (CID 82394049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).