5-(3-methoxyphenyl)pyridine-3,4-diamine

C12H13N3O — CID 126520592

IUPAC5-(3-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1cccc(-c2cncc(N)c2N)c1
InChIInChI=1S/C12H13N3O/c1-16-9-4-2-3-8(5-9)10-6-15-7-11(13)12(10)14/h2-7H,13H2,1H3,(H2,14,15)
InChIKeyKQWSGUQOCQPJAM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.92
Rot. Bonds2

About 5-(3-methoxyphenyl)pyridine-3,4-diamine

5-(3-methoxyphenyl)pyridine-3,4-diamine (PubChem CID 126520592) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)pyridine-3,4-diamine
PubChem CID126520592
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name5-(3-methoxyphenyl)pyridine-3,4-diamine
SMILESCOc1cccc(-c2cncc(N)c2N)c1
InChIInChI=1S/C12H13N3O/c1-16-9-4-2-3-8(5-9)10-6-15-7-11(13)12(10)14/h2-7H,13H2,1H3,(H2,14,15)
InChIKeyKQWSGUQOCQPJAM-UHFFFAOYSA-N
XLogP1.92
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)pyridine-3,4-diamine?
The IUPAC name of 5-(3-methoxyphenyl)pyridine-3,4-diamine (CID 126520592) is 5-(3-methoxyphenyl)pyridine-3,4-diamine.
What is the SMILES notation for 5-(3-methoxyphenyl)pyridine-3,4-diamine?
The canonical SMILES for 5-(3-methoxyphenyl)pyridine-3,4-diamine is COc1cccc(-c2cncc(N)c2N)c1.
What is the InChIKey of 5-(3-methoxyphenyl)pyridine-3,4-diamine?
The InChIKey is KQWSGUQOCQPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-16-9-4-2-3-8(5-9)10-6-15-7-11(13)12(10)14/h2-7H,13H2,1H3,(H2,14,15).
What are the key properties of 5-(3-methoxyphenyl)pyridine-3,4-diamine?
5-(3-methoxyphenyl)pyridine-3,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)pyridine-3,4-diamine is sourced from PubChem (CID 126520592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).