[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone

C25H17IN2O2 — CID 163854266

IUPAC[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone
SMILESCc1ccc(-c2ccc(I)cc2C(=O)c2ccncc2)c(C(=O)c2ccncc2)c1
InChIInChI=1S/C25H17IN2O2/c1-16-2-4-20(22(14-16)24(29)17-6-10-27-11-7-17)21-5-3-19(26)15-23(21)25(30)18-8-12-28-13-9-18/h2-15H,1H3
InChIKeyOWZDIFLELMCGNN-UHFFFAOYSA-N
MW504.33 g/mol
LogP5.52
Rot. Bonds5

About [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone

[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone (PubChem CID 163854266) has the molecular formula C25H17IN2O2 and a molecular weight of 504.33 g/mol. Its IUPAC name is [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone
PubChem CID163854266
Molecular FormulaC25H17IN2O2
Molecular Weight504.33 g/mol
Exact Mass504.03
IUPAC Name[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone
SMILESCc1ccc(-c2ccc(I)cc2C(=O)c2ccncc2)c(C(=O)c2ccncc2)c1
InChIInChI=1S/C25H17IN2O2/c1-16-2-4-20(22(14-16)24(29)17-6-10-27-11-7-17)21-5-3-19(26)15-23(21)25(30)18-8-12-28-13-9-18/h2-15H,1H3
InChIKeyOWZDIFLELMCGNN-UHFFFAOYSA-N
XLogP5.52
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.33
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone (CID 163854266) is [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone is Cc1ccc(-c2ccc(I)cc2C(=O)c2ccncc2)c(C(=O)c2ccncc2)c1.
What is the InChIKey of [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone?
The InChIKey is OWZDIFLELMCGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17IN2O2/c1-16-2-4-20(22(14-16)24(29)17-6-10-27-11-7-17)21-5-3-19(26)15-23(21)25(30)18-8-12-28-13-9-18/h2-15H,1H3.
What are the key properties of [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone?
[2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone has a molecular weight of 504.33 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-iodo-2-(pyridine-4-carbonyl)phenyl]-5-methylphenyl]-pyridin-4-ylmethanone is sourced from PubChem (CID 163854266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).