3-cyano-N-(5-iodo-2-pyridinyl)benzamide

C13H8IN3O — CID 65098930

IUPAC3-cyano-N-(5-iodo-2-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C13H8IN3O/c14-11-4-5-12(16-8-11)17-13(18)10-3-1-2-9(6-10)7-15/h1-6,8H,(H,16,17,18)
InChIKeyMRZPSKDNKHCOPQ-UHFFFAOYSA-N
MW349.13 g/mol
LogP2.81
Rot. Bonds2

About 3-cyano-N-(5-iodo-2-pyridinyl)benzamide

3-cyano-N-(5-iodo-2-pyridinyl)benzamide (PubChem CID 65098930) has the molecular formula C13H8IN3O and a molecular weight of 349.13 g/mol. Its IUPAC name is 3-cyano-N-(5-iodo-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-(5-iodo-2-pyridinyl)benzamide
PubChem CID65098930
Molecular FormulaC13H8IN3O
Molecular Weight349.13 g/mol
Exact Mass348.97
IUPAC Name3-cyano-N-(5-iodo-2-pyridinyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc(I)cn2)c1
InChIInChI=1S/C13H8IN3O/c14-11-4-5-12(16-8-11)17-13(18)10-3-1-2-9(6-10)7-15/h1-6,8H,(H,16,17,18)
InChIKeyMRZPSKDNKHCOPQ-UHFFFAOYSA-N
XLogP2.81
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.13
LogP ≤ 52.81
H-Bond Donors ≤ 51
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 3-cyano-N-(5-iodo-2-pyridinyl)benzamide?
The IUPAC name of 3-cyano-N-(5-iodo-2-pyridinyl)benzamide (CID 65098930) is 3-cyano-N-(5-iodo-2-pyridinyl)benzamide.
What is the SMILES notation for 3-cyano-N-(5-iodo-2-pyridinyl)benzamide?
The canonical SMILES for 3-cyano-N-(5-iodo-2-pyridinyl)benzamide is N#Cc1cccc(C(=O)Nc2ccc(I)cn2)c1.
What is the InChIKey of 3-cyano-N-(5-iodo-2-pyridinyl)benzamide?
The InChIKey is MRZPSKDNKHCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8IN3O/c14-11-4-5-12(16-8-11)17-13(18)10-3-1-2-9(6-10)7-15/h1-6,8H,(H,16,17,18).
What are the key properties of 3-cyano-N-(5-iodo-2-pyridinyl)benzamide?
3-cyano-N-(5-iodo-2-pyridinyl)benzamide has a molecular weight of 349.13 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(5-iodo-2-pyridinyl)benzamide is sourced from PubChem (CID 65098930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).