3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine

C7H3IN4 — CID 59796935

IUPAC3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine
SMILES[C-]#[N+]c1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C7H3IN4/c1-9-6-2-4-5(3-10-6)11-12-7(4)8/h2-3H,(H,11,12)
InChIKeyWJCKVBMVRZSXDZ-UHFFFAOYSA-N
MW270.03 g/mol
LogP2.11
Rot. Bonds

About 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine

3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine (PubChem CID 59796935) has the molecular formula C7H3IN4 and a molecular weight of 270.03 g/mol. Its IUPAC name is 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine
PubChem CID59796935
Molecular FormulaC7H3IN4
Molecular Weight270.03 g/mol
Exact Mass269.94
IUPAC Name3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine
SMILES[C-]#[N+]c1cc2c(I)[nH]nc2cn1
InChIInChI=1S/C7H3IN4/c1-9-6-2-4-5(3-10-6)11-12-7(4)8/h2-3H,(H,11,12)
InChIKeyWJCKVBMVRZSXDZ-UHFFFAOYSA-N
XLogP2.11
TPSA45.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.03
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine (CID 59796935) is 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine is [C-]#[N+]c1cc2c(I)[nH]nc2cn1.
What is the InChIKey of 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine?
The InChIKey is WJCKVBMVRZSXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3IN4/c1-9-6-2-4-5(3-10-6)11-12-7(4)8/h2-3H,(H,11,12).
What are the key properties of 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine?
3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine has a molecular weight of 270.03 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-isocyano-2H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 59796935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).