6-cyano-2-iodo-3-methoxybenzamide

C9H7IN2O2 — CID 171025340

IUPAC6-cyano-2-iodo-3-methoxybenzamide
SMILESCOc1ccc(C#N)c(C(N)=O)c1I
InChIInChI=1S/C9H7IN2O2/c1-14-6-3-2-5(4-11)7(8(6)10)9(12)13/h2-3H,1H3,(H2,12,13)
InChIKeyYIQGVHCRKSBNOA-UHFFFAOYSA-N
MW302.07 g/mol
LogP1.27
Rot. Bonds2

About 6-cyano-2-iodo-3-methoxybenzamide

6-cyano-2-iodo-3-methoxybenzamide (PubChem CID 171025340) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 6-cyano-2-iodo-3-methoxybenzamide.

Molecular Properties

Compound Name6-cyano-2-iodo-3-methoxybenzamide
PubChem CID171025340
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Name6-cyano-2-iodo-3-methoxybenzamide
SMILESCOc1ccc(C#N)c(C(N)=O)c1I
InChIInChI=1S/C9H7IN2O2/c1-14-6-3-2-5(4-11)7(8(6)10)9(12)13/h2-3H,1H3,(H2,12,13)
InChIKeyYIQGVHCRKSBNOA-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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Related Compounds

3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2-(2-chloroacetyl)-3-iodo-4-methoxybenzonitrile
CID 171025544
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
2-(aminomethyl)-6-cyano-3-methoxybenzoic acid
CID 134651893
2-fluoro-3-iodo-4-methoxybenzonitrile
CID 131285926
methyl 2-amino-3-cyano-6-methoxybenzoate
CID 178130883
2-acetyl-3-chloro-4-methoxybenzonitrile
CID 171003277
6-cyano-3-methoxy-2-methylbenzoyl chloride
CID 171026837
methyl 6-cyano-2,3-diiodobenzoate
CID 130923706
6-cyano-2-formyl-3-iodobenzamide
CID 171012768
2-acetyl-4-methoxy-3-nitrobenzonitrile
CID 131301575
3-cyano-N-(diaminomethylidene)-4-methoxybenzamide
CID 23195916

Frequently Asked Questions

What is the IUPAC name of 6-cyano-2-iodo-3-methoxybenzamide?
The IUPAC name of 6-cyano-2-iodo-3-methoxybenzamide (CID 171025340) is 6-cyano-2-iodo-3-methoxybenzamide.
What is the SMILES notation for 6-cyano-2-iodo-3-methoxybenzamide?
The canonical SMILES for 6-cyano-2-iodo-3-methoxybenzamide is COc1ccc(C#N)c(C(N)=O)c1I.
What is the InChIKey of 6-cyano-2-iodo-3-methoxybenzamide?
The InChIKey is YIQGVHCRKSBNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c1-14-6-3-2-5(4-11)7(8(6)10)9(12)13/h2-3H,1H3,(H2,12,13).
What are the key properties of 6-cyano-2-iodo-3-methoxybenzamide?
6-cyano-2-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 6-cyano-2-iodo-3-methoxybenzamide is sourced from PubChem (CID 171025340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).