4-(1,3-benzodioxol-5-yl)pyridin-2-amine

C12H10N2O2 — CID 50951571

IUPAC4-(1,3-benzodioxol-5-yl)pyridin-2-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C12H10N2O2/c13-12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-6H,7H2,(H2,13,14)
InChIKeyIIQJMXVAZRVBLC-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.06
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)pyridin-2-amine

4-(1,3-benzodioxol-5-yl)pyridin-2-amine (PubChem CID 50951571) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)pyridin-2-amine
PubChem CID50951571
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(1,3-benzodioxol-5-yl)pyridin-2-amine
SMILESNc1cc(-c2ccc3c(c2)OCO3)ccn1
InChIInChI=1S/C12H10N2O2/c13-12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-6H,7H2,(H2,13,14)
InChIKeyIIQJMXVAZRVBLC-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

Analyze 4-(1,3-benzodioxol-5-yl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
4-(1,3-benzodioxol-5-yl)-2-phenylpyridine
CID 11623230
4-(1,3-benzodioxol-5-yl)pyridine-2-carboxylic acid
CID 53223206
4-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
CID 22478061
5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 19616634
4-(1,3-benzodioxol-5-ylmethoxy)pyridin-2-amine
CID 113368057
2-(1,3-benzodioxol-5-yl)-4-methylpyridine
CID 175812188
6-(1,3-benzodioxol-5-yl)pyridin-3-amine
CID 82394049
4-(1,3-benzodioxol-5-yl)pyrimidine-2-carbaldehyde
CID 83918199
4-quinoxalin-6-ylpyridin-2-amine
CID 46196144
5-(2-amino-4-pyridinyl)pyridin-2-amine
CID 69116812
3-(1,3-benzodioxol-5-yl)-1,2-thiazol-5-amine
CID 83910432

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)pyridin-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)pyridin-2-amine (CID 50951571) is 4-(1,3-benzodioxol-5-yl)pyridin-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)pyridin-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)pyridin-2-amine is Nc1cc(-c2ccc3c(c2)OCO3)ccn1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)pyridin-2-amine?
The InChIKey is IIQJMXVAZRVBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c13-12-6-9(3-4-14-12)8-1-2-10-11(5-8)16-7-15-10/h1-6H,7H2,(H2,13,14).
What are the key properties of 4-(1,3-benzodioxol-5-yl)pyridin-2-amine?
4-(1,3-benzodioxol-5-yl)pyridin-2-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 4-(1,3-benzodioxol-5-yl)pyridin-2-amine is sourced from PubChem (CID 50951571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).