(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene

C7H8FN3O — CID 89227738

IUPAC(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene
SMILES[H]/N=N/Cc1cc(F)cnc1OC
InChIInChI=1S/C7H8FN3O/c1-12-7-5(3-11-9)2-6(8)4-10-7/h2,4,9H,3H2,1H3/b11-9+
InChIKeyHIIKKELNNKTSGC-PKNBQFBNSA-N
MW169.16 g/mol
LogP1.76
Rot. Bonds3

About (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene

(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene (PubChem CID 89227738) has the molecular formula C7H8FN3O and a molecular weight of 169.16 g/mol. Its IUPAC name is (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene.

Molecular Properties

Compound Name(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene
PubChem CID89227738
Molecular FormulaC7H8FN3O
Molecular Weight169.16 g/mol
Exact Mass169.07
IUPAC Name(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene
SMILES[H]/N=N/Cc1cc(F)cnc1OC
InChIInChI=1S/C7H8FN3O/c1-12-7-5(3-11-9)2-6(8)4-10-7/h2,4,9H,3H2,1H3/b11-9+
InChIKeyHIIKKELNNKTSGC-PKNBQFBNSA-N
XLogP1.76
TPSA58.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene?
The IUPAC name of (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene (CID 89227738) is (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene.
What is the SMILES notation for (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene?
The canonical SMILES for (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene is [H]/N=N/Cc1cc(F)cnc1OC.
What is the InChIKey of (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene?
The InChIKey is HIIKKELNNKTSGC-PKNBQFBNSA-N. The full InChI is InChI=1S/C7H8FN3O/c1-12-7-5(3-11-9)2-6(8)4-10-7/h2,4,9H,3H2,1H3/b11-9+.
What are the key properties of (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene?
(5-fluoro-2-methoxy-3-pyridinyl)methyldiazene has a molecular weight of 169.16 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxy-3-pyridinyl)methyldiazene is sourced from PubChem (CID 89227738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).