3-azido-4-(dimethoxymethyl)-5-fluoropyridine

C8H9FN4O2 — CID 118192586

IUPAC3-azido-4-(dimethoxymethyl)-5-fluoropyridine
SMILESCOC(OC)c1c(F)cncc1N=[N+]=[N-]
InChIInChI=1S/C8H9FN4O2/c1-14-8(15-2)7-5(9)3-11-4-6(7)12-13-10/h3-4,8H,1-2H3
InChIKeyJNJCHXGBCRKHDZ-UHFFFAOYSA-N
MW212.18 g/mol
LogP2.45
Rot. Bonds4

About 3-azido-4-(dimethoxymethyl)-5-fluoropyridine

3-azido-4-(dimethoxymethyl)-5-fluoropyridine (PubChem CID 118192586) has the molecular formula C8H9FN4O2 and a molecular weight of 212.18 g/mol. Its IUPAC name is 3-azido-4-(dimethoxymethyl)-5-fluoropyridine.

Molecular Properties

Compound Name3-azido-4-(dimethoxymethyl)-5-fluoropyridine
PubChem CID118192586
Molecular FormulaC8H9FN4O2
Molecular Weight212.18 g/mol
Exact Mass212.07
IUPAC Name3-azido-4-(dimethoxymethyl)-5-fluoropyridine
SMILESCOC(OC)c1c(F)cncc1N=[N+]=[N-]
InChIInChI=1S/C8H9FN4O2/c1-14-8(15-2)7-5(9)3-11-4-6(7)12-13-10/h3-4,8H,1-2H3
InChIKeyJNJCHXGBCRKHDZ-UHFFFAOYSA-N
XLogP2.45
TPSA80.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-4-(dimethoxymethyl)-5-fluoropyridine?
The IUPAC name of 3-azido-4-(dimethoxymethyl)-5-fluoropyridine (CID 118192586) is 3-azido-4-(dimethoxymethyl)-5-fluoropyridine.
What is the SMILES notation for 3-azido-4-(dimethoxymethyl)-5-fluoropyridine?
The canonical SMILES for 3-azido-4-(dimethoxymethyl)-5-fluoropyridine is COC(OC)c1c(F)cncc1N=[N+]=[N-].
What is the InChIKey of 3-azido-4-(dimethoxymethyl)-5-fluoropyridine?
The InChIKey is JNJCHXGBCRKHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O2/c1-14-8(15-2)7-5(9)3-11-4-6(7)12-13-10/h3-4,8H,1-2H3.
What are the key properties of 3-azido-4-(dimethoxymethyl)-5-fluoropyridine?
3-azido-4-(dimethoxymethyl)-5-fluoropyridine has a molecular weight of 212.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-4-(dimethoxymethyl)-5-fluoropyridine is sourced from PubChem (CID 118192586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).