1-chloro-5-iodopyrazole

C3H2ClIN2 — CID 168861992

IUPAC1-chloro-5-iodopyrazole
SMILESCln1nccc1I
InChIInChI=1S/C3H2ClIN2/c4-7-3(5)1-2-6-7/h1-2H
InChIKeyYKQXQGCEBDXINK-UHFFFAOYSA-N
MW228.42 g/mol
LogP1.49
Rot. Bonds

About 1-chloro-5-iodopyrazole

1-chloro-5-iodopyrazole (PubChem CID 168861992) has the molecular formula C3H2ClIN2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 1-chloro-5-iodopyrazole.

Molecular Properties

Compound Name1-chloro-5-iodopyrazole
PubChem CID168861992
Molecular FormulaC3H2ClIN2
Molecular Weight228.42 g/mol
Exact Mass227.90
IUPAC Name1-chloro-5-iodopyrazole
SMILESCln1nccc1I
InChIInChI=1S/C3H2ClIN2/c4-7-3(5)1-2-6-7/h1-2H
InChIKeyYKQXQGCEBDXINK-UHFFFAOYSA-N
XLogP1.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-5-iodopyrazole
CID 83382816
2-chloropyrazole-3-carboxylic acid
CID 89407725
1-(4-tert-butylphenyl)-5-iodopyrazole
CID 53309902
4-iodopyrazolo[1,5-d][1,2,4]triazine
CID 167145613
1-chloro-5-(oxan-3-yl)pyrazole
CID 175561958
3-iodo-4-(5-iodopyrazol-1-yl)-N,N-dimethylaniline
CID 53309906
1-fluoro-5-methylpyrazole
CID 123447969
8-iodoimidazo[1,2-b]pyridazine
CID 68519749
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
CID 83382808
2-(4-iodophenyl)triazole
CID 123512263
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)propan-1-ol
CID 83388208
3,6-dichloropyridazine;imidazo[1,2-b]pyridazine
CID 87612702

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-iodopyrazole?
The IUPAC name of 1-chloro-5-iodopyrazole (CID 168861992) is 1-chloro-5-iodopyrazole.
What is the SMILES notation for 1-chloro-5-iodopyrazole?
The canonical SMILES for 1-chloro-5-iodopyrazole is Cln1nccc1I.
What is the InChIKey of 1-chloro-5-iodopyrazole?
The InChIKey is YKQXQGCEBDXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClIN2/c4-7-3(5)1-2-6-7/h1-2H.
What are the key properties of 1-chloro-5-iodopyrazole?
1-chloro-5-iodopyrazole has a molecular weight of 228.42 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-iodopyrazole is sourced from PubChem (CID 168861992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).