5-phenoxypyridine-2,3-diamine

C11H11N3O — CID 21485976

IUPAC5-phenoxypyridine-2,3-diamine
SMILESNc1cc(Oc2ccccc2)cnc1N
InChIInChI=1S/C11H11N3O/c12-10-6-9(7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,14)
InChIKeyBQQQOCJYFSJJMO-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.04
Rot. Bonds2

About 5-phenoxypyridine-2,3-diamine

5-phenoxypyridine-2,3-diamine (PubChem CID 21485976) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-phenoxypyridine-2,3-diamine.

Molecular Properties

Compound Name5-phenoxypyridine-2,3-diamine
PubChem CID21485976
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name5-phenoxypyridine-2,3-diamine
SMILESNc1cc(Oc2ccccc2)cnc1N
InChIInChI=1S/C11H11N3O/c12-10-6-9(7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,14)
InChIKeyBQQQOCJYFSJJMO-UHFFFAOYSA-N
XLogP2.04
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxypyridine-2,3-diamine?
The IUPAC name of 5-phenoxypyridine-2,3-diamine (CID 21485976) is 5-phenoxypyridine-2,3-diamine.
What is the SMILES notation for 5-phenoxypyridine-2,3-diamine?
The canonical SMILES for 5-phenoxypyridine-2,3-diamine is Nc1cc(Oc2ccccc2)cnc1N.
What is the InChIKey of 5-phenoxypyridine-2,3-diamine?
The InChIKey is BQQQOCJYFSJJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-10-6-9(7-14-11(10)13)15-8-4-2-1-3-5-8/h1-7H,12H2,(H2,13,14).
What are the key properties of 5-phenoxypyridine-2,3-diamine?
5-phenoxypyridine-2,3-diamine has a molecular weight of 201.23 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxypyridine-2,3-diamine is sourced from PubChem (CID 21485976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).