2-cyano-4-iodo-6-methylbenzamide

C9H7IN2O — CID 171025603

IUPAC2-cyano-4-iodo-6-methylbenzamide
SMILESCc1cc(I)cc(C#N)c1C(N)=O
InChIInChI=1S/C9H7IN2O/c1-5-2-7(10)3-6(4-11)8(5)9(12)13/h2-3H,1H3,(H2,12,13)
InChIKeyQSLAIGAGQNVLRD-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.57
Rot. Bonds1

About 2-cyano-4-iodo-6-methylbenzamide

2-cyano-4-iodo-6-methylbenzamide (PubChem CID 171025603) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 2-cyano-4-iodo-6-methylbenzamide.

Molecular Properties

Compound Name2-cyano-4-iodo-6-methylbenzamide
PubChem CID171025603
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name2-cyano-4-iodo-6-methylbenzamide
SMILESCc1cc(I)cc(C#N)c1C(N)=O
InChIInChI=1S/C9H7IN2O/c1-5-2-7(10)3-6(4-11)8(5)9(12)13/h2-3H,1H3,(H2,12,13)
InChIKeyQSLAIGAGQNVLRD-UHFFFAOYSA-N
XLogP1.57
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-cyano-4-iodo-6-methylbenzoate
CID 130778094
2-cyano-4-iodo-5-methylbenzamide
CID 171025583
2-acetyl-3-(difluoromethyl)-5-iodobenzonitrile
CID 131327037
ethyl 2-(2-cyano-6-ethyl-4-iodophenyl)acetate
CID 134614895
6-cyano-2-iodo-3-methoxybenzamide
CID 171025340
5-amino-2-(2-bromoacetyl)-3-methylbenzonitrile
CID 171013248
3-acetyl-2-bromo-5-iodobenzonitrile
CID 171004910
2-acetyl-5-amino-3-iodobenzonitrile
CID 171025353
6-cyano-2-formyl-3-iodobenzamide
CID 171012768
3-cyano-6-methoxy-2-methylbenzamide
CID 171026852
2-(2-chloroacetyl)-3,5-dimethylbenzonitrile
CID 171015290
2-bromo-4-cyano-6-(difluoromethyl)pyridine-3-carboxamide
CID 119018264

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-iodo-6-methylbenzamide?
The IUPAC name of 2-cyano-4-iodo-6-methylbenzamide (CID 171025603) is 2-cyano-4-iodo-6-methylbenzamide.
What is the SMILES notation for 2-cyano-4-iodo-6-methylbenzamide?
The canonical SMILES for 2-cyano-4-iodo-6-methylbenzamide is Cc1cc(I)cc(C#N)c1C(N)=O.
What is the InChIKey of 2-cyano-4-iodo-6-methylbenzamide?
The InChIKey is QSLAIGAGQNVLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-5-2-7(10)3-6(4-11)8(5)9(12)13/h2-3H,1H3,(H2,12,13).
What are the key properties of 2-cyano-4-iodo-6-methylbenzamide?
2-cyano-4-iodo-6-methylbenzamide has a molecular weight of 286.07 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-4-iodo-6-methylbenzamide is sourced from PubChem (CID 171025603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).