2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid

C9H7FN4O2 — CID 169462111

IUPAC2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C9H7FN4O2/c10-8-5-12-6(2-1-3-13-14-11)4-7(8)9(15)16/h1-2,4-5H,3H2,(H,15,16)
InChIKeyUUYWZUURTJSQGQ-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.24
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid

2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid (PubChem CID 169462111) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
PubChem CID169462111
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid
SMILES[N-]=[N+]=NCC=Cc1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C9H7FN4O2/c10-8-5-12-6(2-1-3-13-14-11)4-7(8)9(15)16/h1-2,4-5H,3H2,(H,15,16)
InChIKeyUUYWZUURTJSQGQ-UHFFFAOYSA-N
XLogP2.24
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid (CID 169462111) is 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid is [N-]=[N+]=NCC=Cc1cc(C(=O)O)c(F)cn1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid?
The InChIKey is UUYWZUURTJSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-8-5-12-6(2-1-3-13-14-11)4-7(8)9(15)16/h1-2,4-5H,3H2,(H,15,16).
What are the key properties of 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid?
2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid has a molecular weight of 222.18 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)-5-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 169462111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).