3-(3-chloro-4-nitropyrazol-1-yl)pyridine

C8H5ClN4O2 — CID 67500148

IUPAC3-(3-chloro-4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C8H5ClN4O2/c9-8-7(13(14)15)5-12(11-8)6-2-1-3-10-4-6/h1-5H
InChIKeyWEIBBYLPUCCXKG-UHFFFAOYSA-N
MW224.61 g/mol
LogP1.83
Rot. Bonds2

About 3-(3-chloro-4-nitropyrazol-1-yl)pyridine

3-(3-chloro-4-nitropyrazol-1-yl)pyridine (PubChem CID 67500148) has the molecular formula C8H5ClN4O2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 3-(3-chloro-4-nitropyrazol-1-yl)pyridine.

Molecular Properties

Compound Name3-(3-chloro-4-nitropyrazol-1-yl)pyridine
PubChem CID67500148
Molecular FormulaC8H5ClN4O2
Molecular Weight224.61 g/mol
Exact Mass224.01
IUPAC Name3-(3-chloro-4-nitropyrazol-1-yl)pyridine
SMILESO=[N+]([O-])c1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C8H5ClN4O2/c9-8-7(13(14)15)5-12(11-8)6-2-1-3-10-4-6/h1-5H
InChIKeyWEIBBYLPUCCXKG-UHFFFAOYSA-N
XLogP1.83
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 51.83
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)pyridine?
The IUPAC name of 3-(3-chloro-4-nitropyrazol-1-yl)pyridine (CID 67500148) is 3-(3-chloro-4-nitropyrazol-1-yl)pyridine.
What is the SMILES notation for 3-(3-chloro-4-nitropyrazol-1-yl)pyridine?
The canonical SMILES for 3-(3-chloro-4-nitropyrazol-1-yl)pyridine is O=[N+]([O-])c1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 3-(3-chloro-4-nitropyrazol-1-yl)pyridine?
The InChIKey is WEIBBYLPUCCXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O2/c9-8-7(13(14)15)5-12(11-8)6-2-1-3-10-4-6/h1-5H.
What are the key properties of 3-(3-chloro-4-nitropyrazol-1-yl)pyridine?
3-(3-chloro-4-nitropyrazol-1-yl)pyridine has a molecular weight of 224.61 g/mol, XLogP of 1.83, 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)pyridine is sourced from PubChem (CID 67500148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).