5-chloro-4-iodo-1H-pyrazole

C3H2ClIN2 — CID 23537420

IUPAC5-chloro-4-iodo-1H-pyrazole
SMILESClc1[nH]ncc1I
InChIInChI=1S/C3H2ClIN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyCQQJYMZUNRYXJF-UHFFFAOYSA-N
MW228.42 g/mol
LogP1.67
Rot. Bonds

About 5-chloro-4-iodo-1H-pyrazole

5-chloro-4-iodo-1H-pyrazole (PubChem CID 23537420) has the molecular formula C3H2ClIN2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 5-chloro-4-iodo-1H-pyrazole.

Molecular Properties

Compound Name5-chloro-4-iodo-1H-pyrazole
PubChem CID23537420
Molecular FormulaC3H2ClIN2
Molecular Weight228.42 g/mol
Exact Mass227.90
IUPAC Name5-chloro-4-iodo-1H-pyrazole
SMILESClc1[nH]ncc1I
InChIInChI=1S/C3H2ClIN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7)
InChIKeyCQQJYMZUNRYXJF-UHFFFAOYSA-N
XLogP1.67
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodo-1H-pyrazole?
The IUPAC name of 5-chloro-4-iodo-1H-pyrazole (CID 23537420) is 5-chloro-4-iodo-1H-pyrazole.
What is the SMILES notation for 5-chloro-4-iodo-1H-pyrazole?
The canonical SMILES for 5-chloro-4-iodo-1H-pyrazole is Clc1[nH]ncc1I.
What is the InChIKey of 5-chloro-4-iodo-1H-pyrazole?
The InChIKey is CQQJYMZUNRYXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClIN2/c4-3-2(5)1-6-7-3/h1H,(H,6,7).
What are the key properties of 5-chloro-4-iodo-1H-pyrazole?
5-chloro-4-iodo-1H-pyrazole has a molecular weight of 228.42 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-iodo-1H-pyrazole is sourced from PubChem (CID 23537420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).