3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine

C8H4ClFN4O2 — CID 67500211

IUPAC3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine
SMILESO=[N+]([O-])c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C8H4ClFN4O2/c9-8-7(14(15)16)4-13(12-8)6-1-5(10)2-11-3-6/h1-4H
InChIKeyFDMIZRFESAAAQQ-UHFFFAOYSA-N
MW242.60 g/mol
LogP1.97
Rot. Bonds2

About 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine

3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine (PubChem CID 67500211) has the molecular formula C8H4ClFN4O2 and a molecular weight of 242.60 g/mol. Its IUPAC name is 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine.

Molecular Properties

Compound Name3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine
PubChem CID67500211
Molecular FormulaC8H4ClFN4O2
Molecular Weight242.60 g/mol
Exact Mass242.00
IUPAC Name3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine
SMILESO=[N+]([O-])c1cn(-c2cncc(F)c2)nc1Cl
InChIInChI=1S/C8H4ClFN4O2/c9-8-7(14(15)16)4-13(12-8)6-1-5(10)2-11-3-6/h1-4H
InChIKeyFDMIZRFESAAAQQ-UHFFFAOYSA-N
XLogP1.97
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.60
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine?
The IUPAC name of 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine (CID 67500211) is 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine.
What is the SMILES notation for 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine?
The canonical SMILES for 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine is O=[N+]([O-])c1cn(-c2cncc(F)c2)nc1Cl.
What is the InChIKey of 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine?
The InChIKey is FDMIZRFESAAAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN4O2/c9-8-7(14(15)16)4-13(12-8)6-1-5(10)2-11-3-6/h1-4H.
What are the key properties of 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine?
3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine has a molecular weight of 242.60 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-nitropyrazol-1-yl)-5-fluoropyridine is sourced from PubChem (CID 67500211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).