2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine

C17H11IN6 — CID 58336819

IUPAC2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine
SMILESIc1cncc(-n2cc(-c3cccc(-c4ncccn4)n3)cn2)c1
InChIInChI=1S/C17H11IN6/c18-13-7-14(10-19-9-13)24-11-12(8-22-24)15-3-1-4-16(23-15)17-20-5-2-6-21-17/h1-11H
InChIKeyRWHBUXJJQRRTRP-UHFFFAOYSA-N
MW426.22 g/mol
LogP3.39
Rot. Bonds3

About 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine

2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine (PubChem CID 58336819) has the molecular formula C17H11IN6 and a molecular weight of 426.22 g/mol. Its IUPAC name is 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine
PubChem CID58336819
Molecular FormulaC17H11IN6
Molecular Weight426.22 g/mol
Exact Mass426.01
IUPAC Name2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine
SMILESIc1cncc(-n2cc(-c3cccc(-c4ncccn4)n3)cn2)c1
InChIInChI=1S/C17H11IN6/c18-13-7-14(10-19-9-13)24-11-12(8-22-24)15-3-1-4-16(23-15)17-20-5-2-6-21-17/h1-11H
InChIKeyRWHBUXJJQRRTRP-UHFFFAOYSA-N
XLogP3.39
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine?
The IUPAC name of 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine (CID 58336819) is 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine is Ic1cncc(-n2cc(-c3cccc(-c4ncccn4)n3)cn2)c1.
What is the InChIKey of 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine?
The InChIKey is RWHBUXJJQRRTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11IN6/c18-13-7-14(10-19-9-13)24-11-12(8-22-24)15-3-1-4-16(23-15)17-20-5-2-6-21-17/h1-11H.
What are the key properties of 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine?
2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine has a molecular weight of 426.22 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[1-(5-iodo-3-pyridinyl)pyrazol-4-yl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 58336819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).