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

C3H2ClIN2 — CID 90884073

IUPAC4-chloro-5-iodo-1H-pyrazole
SMILESClc1cn[nH]c1I
InChIInChI=1S/C3H2ClIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyJDOWQLJELKZSSL-UHFFFAOYSA-N
MW228.42 g/mol
LogP1.67
Rot. Bonds

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

4-chloro-5-iodo-1H-pyrazole (PubChem CID 90884073) has the molecular formula C3H2ClIN2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 4-chloro-5-iodo-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-iodo-1H-pyrazole
PubChem CID90884073
Molecular FormulaC3H2ClIN2
Molecular Weight228.42 g/mol
Exact Mass227.90
IUPAC Name4-chloro-5-iodo-1H-pyrazole
SMILESClc1cn[nH]c1I
InChIInChI=1S/C3H2ClIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyJDOWQLJELKZSSL-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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Related Compounds

1H-Pyrazole, 4-chloro-
CID 27524
4-Iodopyrazole
CID 77022
4,5-Diiodo-1H-pyrazole
CID 15365649
5-bromo-4-chloro-1H-pyrazole
CID 13013117
4-bromo-3-chloro-1H-pyrazole
CID 13013118
4-bromo-3-iodo-1H-pyrazole
CID 70807072
4,5-dichloro-1H-pyrazole
CID 519196
4-Chloro-1H-pyrazol-1-amine
CID 13133629
3-Chloro-4-iodo-1H-pyrazole
CID 23537420
4-Fluoro-3-iodo-1H-pyrazole
CID 86052945
3-chloro-4-fluoro-1H-pyrazole
CID 89416187
4-chloro-3-fluoro-1H-pyrazole
CID 105427197

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-1H-pyrazole?
The IUPAC name of 4-chloro-5-iodo-1H-pyrazole (CID 90884073) is 4-chloro-5-iodo-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-iodo-1H-pyrazole?
The canonical SMILES for 4-chloro-5-iodo-1H-pyrazole is Clc1cn[nH]c1I.
What is the InChIKey of 4-chloro-5-iodo-1H-pyrazole?
The InChIKey is JDOWQLJELKZSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClIN2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4-chloro-5-iodo-1H-pyrazole?
4-chloro-5-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 4-chloro-5-iodo-1H-pyrazole is sourced from PubChem (CID 90884073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).