[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine

C13H12N2O2 — CID 83918221

IUPAC[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C13H12N2O2/c14-6-9-1-3-11(15-7-9)10-2-4-12-13(5-10)17-8-16-12/h1-5,7H,6,8,14H2
InChIKeySVVICVMMVACFLF-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.94
Rot. Bonds2

About [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine

[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine (PubChem CID 83918221) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
PubChem CID83918221
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C13H12N2O2/c14-6-9-1-3-11(15-7-9)10-2-4-12-13(5-10)17-8-16-12/h1-5,7H,6,8,14H2
InChIKeySVVICVMMVACFLF-UHFFFAOYSA-N
XLogP1.94
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
[4-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 39197619
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridinyl]acetonitrile
CID 117001960
4-(aminomethyl)-2-(1,3-benzodioxol-5-yl)aniline
CID 139679587
[6-(1,3-benzodioxol-5-yl)-2-methylpyrimidin-4-yl]methanamine
CID 116857624
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914325
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 62651876
(6-pyrimidin-5-yl-3-pyridinyl)methanamine
CID 91623834
[5-[3-(aminomethyl)-4-(1,3-benzodioxol-5-yl)phenyl]-2-(1,3-benzodioxol-5-yl)phenyl]methanamine
CID 154597141
6-[[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914328

Frequently Asked Questions

What is the IUPAC name of [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine (CID 83918221) is [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine is NCc1ccc(-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine?
The InChIKey is SVVICVMMVACFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c14-6-9-1-3-11(15-7-9)10-2-4-12-13(5-10)17-8-16-12/h1-5,7H,6,8,14H2.
What are the key properties of [6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine?
[6-(1,3-benzodioxol-5-yl)-3-pyridinyl]methanamine has a molecular weight of 228.25 g/mol, XLogP of 1.94, 2 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)-3-pyridinyl]methanamine is sourced from PubChem (CID 83918221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).