2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine

C13H12N2O — CID 114746394

IUPAC2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
SMILESNc1cccnc1-c1cccc2c1OCC2
InChIInChI=1S/C13H12N2O/c14-11-5-2-7-15-12(11)10-4-1-3-9-6-8-16-13(9)10/h1-5,7H,6,8,14H2
InChIKeyIQHJBNKZSHJUSZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.27
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine

2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine (PubChem CID 114746394) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
PubChem CID114746394
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
SMILESNc1cccnc1-c1cccc2c1OCC2
InChIInChI=1S/C13H12N2O/c14-11-5-2-7-15-12(11)10-4-1-3-9-6-8-16-13(9)10/h1-5,7H,6,8,14H2
InChIKeyIQHJBNKZSHJUSZ-UHFFFAOYSA-N
XLogP2.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine (CID 114746394) is 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine is Nc1cccnc1-c1cccc2c1OCC2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine?
The InChIKey is IQHJBNKZSHJUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c14-11-5-2-7-15-12(11)10-4-1-3-9-6-8-16-13(9)10/h1-5,7H,6,8,14H2.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine?
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine has a molecular weight of 212.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine is sourced from PubChem (CID 114746394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).