2-cyano-4-iodo-5-methylbenzamide

C9H7IN2O — CID 171025583

IUPAC2-cyano-4-iodo-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(C#N)cc1I
InChIInChI=1S/C9H7IN2O/c1-5-2-7(9(12)13)6(4-11)3-8(5)10/h2-3H,1H3,(H2,12,13)
InChIKeySUOWWSVGAVSDJL-UHFFFAOYSA-N
MW286.07 g/mol
LogP1.57
Rot. Bonds1

About 2-cyano-4-iodo-5-methylbenzamide

2-cyano-4-iodo-5-methylbenzamide (PubChem CID 171025583) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 2-cyano-4-iodo-5-methylbenzamide.

Molecular Properties

Compound Name2-cyano-4-iodo-5-methylbenzamide
PubChem CID171025583
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name2-cyano-4-iodo-5-methylbenzamide
SMILESCc1cc(C(N)=O)c(C#N)cc1I
InChIInChI=1S/C9H7IN2O/c1-5-2-7(9(12)13)6(4-11)3-8(5)10/h2-3H,1H3,(H2,12,13)
InChIKeySUOWWSVGAVSDJL-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

2-(2-chloroacetyl)-5-iodo-4-methylbenzonitrile
CID 171025775
2-amino-5-iodo-4-methylbenzonitrile
CID 147196701
2-cyano-4-iodo-6-methylbenzamide
CID 171025603
5-cyano-2-formyl-4-iodobenzamide
CID 171013624
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
4-cyano-5-iodo-2-(trifluoromethyl)benzamide
CID 171024844
3-cyano-5-fluoro-2-iodobenzamide
CID 171021829
ethyl 2-cyano-4-iodo-5-methoxybenzoate
CID 134643414
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907
2-cyano-5-fluoro-4-iodobenzoic acid
CID 130935447
2-amino-5-cyano-3-methylbenzamide
CID 25156711
2-acetyl-5-bromo-4-methylbenzonitrile
CID 171008316

Frequently Asked Questions

What is the IUPAC name of 2-cyano-4-iodo-5-methylbenzamide?
The IUPAC name of 2-cyano-4-iodo-5-methylbenzamide (CID 171025583) is 2-cyano-4-iodo-5-methylbenzamide.
What is the SMILES notation for 2-cyano-4-iodo-5-methylbenzamide?
The canonical SMILES for 2-cyano-4-iodo-5-methylbenzamide is Cc1cc(C(N)=O)c(C#N)cc1I.
What is the InChIKey of 2-cyano-4-iodo-5-methylbenzamide?
The InChIKey is SUOWWSVGAVSDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c1-5-2-7(9(12)13)6(4-11)3-8(5)10/h2-3H,1H3,(H2,12,13).
What are the key properties of 2-cyano-4-iodo-5-methylbenzamide?
2-cyano-4-iodo-5-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-5-methylbenzamide is sourced from PubChem (CID 171025583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).