5-formyl-2-iodo-4-methoxybenzoyl chloride

C9H6ClIO3 — CID 171015548

IUPAC5-formyl-2-iodo-4-methoxybenzoyl chloride
SMILESCOc1cc(I)c(C(=O)Cl)cc1C=O
InChIInChI=1S/C9H6ClIO3/c1-14-8-3-7(11)6(9(10)13)2-5(8)4-12/h2-4H,1H3
InChIKeyRPSKURALGRTSEI-UHFFFAOYSA-N
MW324.50 g/mol
LogP2.49
Rot. Bonds3

About 5-formyl-2-iodo-4-methoxybenzoyl chloride

5-formyl-2-iodo-4-methoxybenzoyl chloride (PubChem CID 171015548) has the molecular formula C9H6ClIO3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 5-formyl-2-iodo-4-methoxybenzoyl chloride.

Molecular Properties

Compound Name5-formyl-2-iodo-4-methoxybenzoyl chloride
PubChem CID171015548
Molecular FormulaC9H6ClIO3
Molecular Weight324.50 g/mol
Exact Mass323.91
IUPAC Name5-formyl-2-iodo-4-methoxybenzoyl chloride
SMILESCOc1cc(I)c(C(=O)Cl)cc1C=O
InChIInChI=1S/C9H6ClIO3/c1-14-8-3-7(11)6(9(10)13)2-5(8)4-12/h2-4H,1H3
InChIKeyRPSKURALGRTSEI-UHFFFAOYSA-N
XLogP2.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-formyl-2-iodo-4-methoxybenzamide
CID 171015652
2-formyl-5-methoxy-4-nitrobenzoyl chloride
CID 171023304
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865
5-iodo-2-methoxy-4-methylbenzaldehyde
CID 130739044
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171023863
2-amino-4-formyl-5-methoxybenzamide
CID 58768479
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
4-(2-chloroacetyl)-2-methoxy-5-methylbenzaldehyde
CID 171022321
2-cyano-5-formyl-4-methoxybenzamide
CID 171012907

Frequently Asked Questions

What is the IUPAC name of 5-formyl-2-iodo-4-methoxybenzoyl chloride?
The IUPAC name of 5-formyl-2-iodo-4-methoxybenzoyl chloride (CID 171015548) is 5-formyl-2-iodo-4-methoxybenzoyl chloride.
What is the SMILES notation for 5-formyl-2-iodo-4-methoxybenzoyl chloride?
The canonical SMILES for 5-formyl-2-iodo-4-methoxybenzoyl chloride is COc1cc(I)c(C(=O)Cl)cc1C=O.
What is the InChIKey of 5-formyl-2-iodo-4-methoxybenzoyl chloride?
The InChIKey is RPSKURALGRTSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIO3/c1-14-8-3-7(11)6(9(10)13)2-5(8)4-12/h2-4H,1H3.
What are the key properties of 5-formyl-2-iodo-4-methoxybenzoyl chloride?
5-formyl-2-iodo-4-methoxybenzoyl chloride has a molecular weight of 324.50 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-2-iodo-4-methoxybenzoyl chloride is sourced from PubChem (CID 171015548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).