5-(4-iodopyrazol-1-yl)-2-nitropyridine

C8H5IN4O2 — CID 130614747

IUPAC5-(4-iodopyrazol-1-yl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(I)cn2)cn1
InChIInChI=1S/C8H5IN4O2/c9-6-3-11-12(5-6)7-1-2-8(10-4-7)13(14)15/h1-5H
InChIKeyKYYQKVOTILNEJN-UHFFFAOYSA-N
MW316.06 g/mol
LogP1.78
Rot. Bonds2

About 5-(4-iodopyrazol-1-yl)-2-nitropyridine

5-(4-iodopyrazol-1-yl)-2-nitropyridine (PubChem CID 130614747) has the molecular formula C8H5IN4O2 and a molecular weight of 316.06 g/mol. Its IUPAC name is 5-(4-iodopyrazol-1-yl)-2-nitropyridine.

Molecular Properties

Compound Name5-(4-iodopyrazol-1-yl)-2-nitropyridine
PubChem CID130614747
Molecular FormulaC8H5IN4O2
Molecular Weight316.06 g/mol
Exact Mass315.95
IUPAC Name5-(4-iodopyrazol-1-yl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-n2cc(I)cn2)cn1
InChIInChI=1S/C8H5IN4O2/c9-6-3-11-12(5-6)7-1-2-8(10-4-7)13(14)15/h1-5H
InChIKeyKYYQKVOTILNEJN-UHFFFAOYSA-N
XLogP1.78
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.06
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'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 5-(4-iodopyrazol-1-yl)-2-nitropyridine?
The IUPAC name of 5-(4-iodopyrazol-1-yl)-2-nitropyridine (CID 130614747) is 5-(4-iodopyrazol-1-yl)-2-nitropyridine.
What is the SMILES notation for 5-(4-iodopyrazol-1-yl)-2-nitropyridine?
The canonical SMILES for 5-(4-iodopyrazol-1-yl)-2-nitropyridine is O=[N+]([O-])c1ccc(-n2cc(I)cn2)cn1.
What is the InChIKey of 5-(4-iodopyrazol-1-yl)-2-nitropyridine?
The InChIKey is KYYQKVOTILNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN4O2/c9-6-3-11-12(5-6)7-1-2-8(10-4-7)13(14)15/h1-5H.
What are the key properties of 5-(4-iodopyrazol-1-yl)-2-nitropyridine?
5-(4-iodopyrazol-1-yl)-2-nitropyridine has a molecular weight of 316.06 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-iodopyrazol-1-yl)-2-nitropyridine is sourced from PubChem (CID 130614747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).