7-chloro-3-iodopyrazolo[1,5-a]pyrimidine

C6H3ClIN3 — CID 118669321

IUPAC7-chloro-3-iodopyrazolo[1,5-a]pyrimidine
SMILESClc1ccnc2c(I)cnn12
InChIInChI=1S/C6H3ClIN3/c7-5-1-2-9-6-4(8)3-10-11(5)6/h1-3H
InChIKeyJBCMWZQGBAYVQW-UHFFFAOYSA-N
MW279.47 g/mol
LogP1.99
Rot. Bonds

About 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine

7-chloro-3-iodopyrazolo[1,5-a]pyrimidine (PubChem CID 118669321) has the molecular formula C6H3ClIN3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-chloro-3-iodopyrazolo[1,5-a]pyrimidine
PubChem CID118669321
Molecular FormulaC6H3ClIN3
Molecular Weight279.47 g/mol
Exact Mass278.91
IUPAC Name7-chloro-3-iodopyrazolo[1,5-a]pyrimidine
SMILESClc1ccnc2c(I)cnn12
InChIInChI=1S/C6H3ClIN3/c7-5-1-2-9-6-4(8)3-10-11(5)6/h1-3H
InChIKeyJBCMWZQGBAYVQW-UHFFFAOYSA-N
XLogP1.99
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-bromo-3-chloropyrazolo[1,5-a]pyrimidine
CID 119081602
3-chloro-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 11299190
3-(4-chlorophenyl)-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 56921519
3-chloro-7-pyridin-2-ylpyrazolo[1,5-a]pyrimidine
CID 12766261
1-chloro-4-iodo-2,6-naphthyridine
CID 135397215
3,8-dichloro-7-iodoimidazo[1,2-a]pyridine
CID 169177950
7-bromo-3-methylpyrazolo[1,5-a]pyrimidine
CID 133059303
3-chloro-7-piperazin-1-ylpyrazolo[1,5-a]pyrimidine
CID 105499879
5,7-dichloro-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 82274339
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
8-iodoimidazo[1,2-b]pyridazine
CID 68519749
3-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 126471525

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine (CID 118669321) is 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine is Clc1ccnc2c(I)cnn12.
What is the InChIKey of 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine?
The InChIKey is JBCMWZQGBAYVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClIN3/c7-5-1-2-9-6-4(8)3-10-11(5)6/h1-3H.
What are the key properties of 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine?
7-chloro-3-iodopyrazolo[1,5-a]pyrimidine has a molecular weight of 279.47 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-iodopyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118669321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).