2-iodopyrazolo[3,4-c]pyridine

C6H4IN3 — CID 167242438

IUPAC2-iodopyrazolo[3,4-c]pyridine
SMILESIn1cc2ccncc2n1
InChIInChI=1S/C6H4IN3/c7-10-4-5-1-2-8-3-6(5)9-10/h1-4H
InChIKeyHQHNRJLSLBBXHQ-UHFFFAOYSA-N
MW245.02 g/mol
LogP1.63
Rot. Bonds

About 2-iodopyrazolo[3,4-c]pyridine

2-iodopyrazolo[3,4-c]pyridine (PubChem CID 167242438) has the molecular formula C6H4IN3 and a molecular weight of 245.02 g/mol. Its IUPAC name is 2-iodopyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-iodopyrazolo[3,4-c]pyridine
PubChem CID167242438
Molecular FormulaC6H4IN3
Molecular Weight245.02 g/mol
Exact Mass244.94
IUPAC Name2-iodopyrazolo[3,4-c]pyridine
SMILESIn1cc2ccncc2n1
InChIInChI=1S/C6H4IN3/c7-10-4-5-1-2-8-3-6(5)9-10/h1-4H
InChIKeyHQHNRJLSLBBXHQ-UHFFFAOYSA-N
XLogP1.63
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.02
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-iodopyrazolo[3,4-c]pyridine 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

2-pyrazolo[3,4-c]pyridin-2-ylacetamide
CID 89383518
2-(2-methoxyethyl)pyrazolo[3,4-c]pyridine
CID 168926257
(4-pyrazolo[3,4-c]pyridin-2-ylcyclohexyl)methanol
CID 175931249
1,3-dideuteriofuro[3,4-c]pyridine
CID 175759394
2-chloro-1,7-naphthyridine
CID 20696625
2,9-phenanthroline
CID 23271029
3,8-phenanthroline
CID 13064691
1-(2,3,4,5,6-pentafluorophenyl)imidazo[4,5-c]pyridin-2-amine
CID 115564675
2-fluoropyrido[4,3-d]pyrimidine
CID 140973254
pyrido[3,2-d]pyrimidine;pyrido[3,4-d]pyrimidine;pyrido[4,3-d]pyrimidine
CID 67067545
9-azaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1(34),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32-heptadecaene
CID 91751532
isoquinoline;1,3,5-triazine
CID 175198893

Frequently Asked Questions

What is the IUPAC name of 2-iodopyrazolo[3,4-c]pyridine?
The IUPAC name of 2-iodopyrazolo[3,4-c]pyridine (CID 167242438) is 2-iodopyrazolo[3,4-c]pyridine.
What is the SMILES notation for 2-iodopyrazolo[3,4-c]pyridine?
The canonical SMILES for 2-iodopyrazolo[3,4-c]pyridine is In1cc2ccncc2n1.
What is the InChIKey of 2-iodopyrazolo[3,4-c]pyridine?
The InChIKey is HQHNRJLSLBBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4IN3/c7-10-4-5-1-2-8-3-6(5)9-10/h1-4H.
What are the key properties of 2-iodopyrazolo[3,4-c]pyridine?
2-iodopyrazolo[3,4-c]pyridine has a molecular weight of 245.02 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopyrazolo[3,4-c]pyridine is sourced from PubChem (CID 167242438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).