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

C13H10ClN3O — CID 166632063

IUPAC4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3oc(Cl)cc3c2)cc(N)n1
InChIInChI=1S/C13H10ClN3O/c14-11-4-9-3-7(1-2-10(9)18-11)8-5-12(15)17-13(16)6-8/h1-6H,(H4,15,16,17)
InChIKeyVDPIWLWPHQREHY-UHFFFAOYSA-N
MW259.70 g/mol
LogP3.31
Rot. Bonds1

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

4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine (PubChem CID 166632063) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine
PubChem CID166632063
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine
SMILESNc1cc(-c2ccc3oc(Cl)cc3c2)cc(N)n1
InChIInChI=1S/C13H10ClN3O/c14-11-4-9-3-7(1-2-10(9)18-11)8-5-12(15)17-13(16)6-8/h1-6H,(H4,15,16,17)
InChIKeyVDPIWLWPHQREHY-UHFFFAOYSA-N
XLogP3.31
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine (CID 166632063) is 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine is Nc1cc(-c2ccc3oc(Cl)cc3c2)cc(N)n1.
What is the InChIKey of 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine?
The InChIKey is VDPIWLWPHQREHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c14-11-4-9-3-7(1-2-10(9)18-11)8-5-12(15)17-13(16)6-8/h1-6H,(H4,15,16,17).
What are the key properties of 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine?
4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine has a molecular weight of 259.70 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-1-benzofuran-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 166632063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).