2-cyano-5-iodo-3-methoxybenzamide

C9H7IN2O2 — CID 171025537

IUPAC2-cyano-5-iodo-3-methoxybenzamide
SMILESCOc1cc(I)cc(C(N)=O)c1C#N
InChIInChI=1S/C9H7IN2O2/c1-14-8-3-5(10)2-6(9(12)13)7(8)4-11/h2-3H,1H3,(H2,12,13)
InChIKeyOOLKBQARHQDGMQ-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.27
Rot. Bonds2

About 2-cyano-5-iodo-3-methoxybenzamide

2-cyano-5-iodo-3-methoxybenzamide (PubChem CID 171025537) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 2-cyano-5-iodo-3-methoxybenzamide.

Molecular Properties

Compound Name2-cyano-5-iodo-3-methoxybenzamide
PubChem CID171025537
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Name2-cyano-5-iodo-3-methoxybenzamide
SMILESCOc1cc(I)cc(C(N)=O)c1C#N
InChIInChI=1S/C9H7IN2O2/c1-14-8-3-5(10)2-6(9(12)13)7(8)4-11/h2-3H,1H3,(H2,12,13)
InChIKeyOOLKBQARHQDGMQ-UHFFFAOYSA-N
XLogP1.27
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 51.27
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 2-cyano-5-iodo-3-methoxybenzamide?
The IUPAC name of 2-cyano-5-iodo-3-methoxybenzamide (CID 171025537) is 2-cyano-5-iodo-3-methoxybenzamide.
What is the SMILES notation for 2-cyano-5-iodo-3-methoxybenzamide?
The canonical SMILES for 2-cyano-5-iodo-3-methoxybenzamide is COc1cc(I)cc(C(N)=O)c1C#N.
What is the InChIKey of 2-cyano-5-iodo-3-methoxybenzamide?
The InChIKey is OOLKBQARHQDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-8-3-5(10)2-6(9(12)13)7(8)4-11/h2-3H,1H3,(H2,12,13).
What are the key properties of 2-cyano-5-iodo-3-methoxybenzamide?
2-cyano-5-iodo-3-methoxybenzamide has a molecular weight of 302.07 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-iodo-3-methoxybenzamide is sourced from PubChem (CID 171025537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).