4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine

C13H13N3O — CID 166631199

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3c(c2)CCO3)cc(N)n1
InChIInChI=1S/C13H13N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5-7H,3-4H2,(H4,14,15,16)
InChIKeyRVIBIVVELAQXPQ-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.85
Rot. Bonds1

About 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine

4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 166631199) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID166631199
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3c(c2)CCO3)cc(N)n1
InChIInChI=1S/C13H13N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5-7H,3-4H2,(H4,14,15,16)
InChIKeyRVIBIVVELAQXPQ-UHFFFAOYSA-N
XLogP1.85
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine (CID 166631199) is 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine is Nc1cc(-c2ccc3c(c2)CCO3)cc(N)n1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is RVIBIVVELAQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-2,5-7H,3-4H2,(H4,14,15,16).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 227.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 166631199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).