2-methoxypyridine-3,4-diamine

C6H9N3O — CID 10148998

IUPAC2-methoxypyridine-3,4-diamine
SMILESCOc1nccc(N)c1N
InChIInChI=1S/C6H9N3O/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyYAIFNSSQKVRCSO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.25
Rot. Bonds1

About 2-methoxypyridine-3,4-diamine

2-methoxypyridine-3,4-diamine (PubChem CID 10148998) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-methoxypyridine-3,4-diamine.

Molecular Properties

Compound Name2-methoxypyridine-3,4-diamine
PubChem CID10148998
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-methoxypyridine-3,4-diamine
SMILESCOc1nccc(N)c1N
InChIInChI=1S/C6H9N3O/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,8H2,1H3,(H2,7,9)
InChIKeyYAIFNSSQKVRCSO-UHFFFAOYSA-N
XLogP0.25
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-3,4-diamine?
The IUPAC name of 2-methoxypyridine-3,4-diamine (CID 10148998) is 2-methoxypyridine-3,4-diamine.
What is the SMILES notation for 2-methoxypyridine-3,4-diamine?
The canonical SMILES for 2-methoxypyridine-3,4-diamine is COc1nccc(N)c1N.
What is the InChIKey of 2-methoxypyridine-3,4-diamine?
The InChIKey is YAIFNSSQKVRCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,8H2,1H3,(H2,7,9).
What are the key properties of 2-methoxypyridine-3,4-diamine?
2-methoxypyridine-3,4-diamine has a molecular weight of 139.16 g/mol, XLogP of 0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-3,4-diamine is sourced from PubChem (CID 10148998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).