4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine

C11H8IN5 — CID 66677571

IUPAC4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine
SMILESIc1cc(-c2ccn[nH]2)nc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H8IN5/c12-7-5-10(8-1-3-13-16-8)15-11(6-7)9-2-4-14-17-9/h1-6H,(H,13,16)(H,14,17)
InChIKeyAWJKTLZSNYYVCE-UHFFFAOYSA-N
MW337.12 g/mol
LogP2.47
Rot. Bonds2

About 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine

4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine (PubChem CID 66677571) has the molecular formula C11H8IN5 and a molecular weight of 337.12 g/mol. Its IUPAC name is 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine
PubChem CID66677571
Molecular FormulaC11H8IN5
Molecular Weight337.12 g/mol
Exact Mass336.98
IUPAC Name4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine
SMILESIc1cc(-c2ccn[nH]2)nc(-c2ccn[nH]2)c1
InChIInChI=1S/C11H8IN5/c12-7-5-10(8-1-3-13-16-8)15-11(6-7)9-2-4-14-17-9/h1-6H,(H,13,16)(H,14,17)
InChIKeyAWJKTLZSNYYVCE-UHFFFAOYSA-N
XLogP2.47
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.12
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine (CID 66677571) is 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine is Ic1cc(-c2ccn[nH]2)nc(-c2ccn[nH]2)c1.
What is the InChIKey of 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine?
The InChIKey is AWJKTLZSNYYVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN5/c12-7-5-10(8-1-3-13-16-8)15-11(6-7)9-2-4-14-17-9/h1-6H,(H,13,16)(H,14,17).
What are the key properties of 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine?
4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine has a molecular weight of 337.12 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,6-bis(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 66677571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).