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

C13H11N3O — CID 155920134

IUPAC4-(1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)
InChIKeyGMWUNXLQEKAPBL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds1

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

4-(1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 155920134) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID155920134
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3occc3c2)cc(N)n1
InChIInChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16)
InChIKeyGMWUNXLQEKAPBL-UHFFFAOYSA-N
XLogP2.66
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(1-benzofuran-5-yl)pyridine-2,6-diamine (CID 155920134) is 4-(1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(1-benzofuran-5-yl)pyridine-2,6-diamine is Nc1cc(-c2ccc3occc3c2)cc(N)n1.
What is the InChIKey of 4-(1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is GMWUNXLQEKAPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16).
What are the key properties of 4-(1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 225.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155920134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).