4-formyl-2-iodo-6-methylbenzoyl chloride

C9H6ClIO2 — CID 171015604

IUPAC4-formyl-2-iodo-6-methylbenzoyl chloride
SMILESCc1cc(C=O)cc(I)c1C(=O)Cl
InChIInChI=1S/C9H6ClIO2/c1-5-2-6(4-12)3-7(11)8(5)9(10)13/h2-4H,1H3
InChIKeyHEBQMLXWACCRQW-UHFFFAOYSA-N
MW308.50 g/mol
LogP2.79
Rot. Bonds2

About 4-formyl-2-iodo-6-methylbenzoyl chloride

4-formyl-2-iodo-6-methylbenzoyl chloride (PubChem CID 171015604) has the molecular formula C9H6ClIO2 and a molecular weight of 308.50 g/mol. Its IUPAC name is 4-formyl-2-iodo-6-methylbenzoyl chloride.

Molecular Properties

Compound Name4-formyl-2-iodo-6-methylbenzoyl chloride
PubChem CID171015604
Molecular FormulaC9H6ClIO2
Molecular Weight308.50 g/mol
Exact Mass307.91
IUPAC Name4-formyl-2-iodo-6-methylbenzoyl chloride
SMILESCc1cc(C=O)cc(I)c1C(=O)Cl
InChIInChI=1S/C9H6ClIO2/c1-5-2-6(4-12)3-7(11)8(5)9(10)13/h2-4H,1H3
InChIKeyHEBQMLXWACCRQW-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
CID 163968240
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
3-amino-4-chloro-5-methylbenzaldehyde
CID 145380642
2-formyl-6-methyl-4-(trifluoromethyl)benzoyl chloride
CID 171015011
4-amino-2,6-diiodobenzoyl chloride
CID 88847643
3-acetyl-4-chloro-5-methylbenzaldehyde
CID 171003796
(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
2-iodo-3,6-dimethylbenzoyl chloride
CID 171002077
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
ethyl 4-formyl-2-methoxy-6-methylbenzoate
CID 171024646
5-formyl-2-hydroxy-3-methylbenzoic acid
CID 158743279
4-hydroxy-3-methyl-5-phosphanyloxybenzaldehyde
CID 20793098

Frequently Asked Questions

What is the IUPAC name of 4-formyl-2-iodo-6-methylbenzoyl chloride?
The IUPAC name of 4-formyl-2-iodo-6-methylbenzoyl chloride (CID 171015604) is 4-formyl-2-iodo-6-methylbenzoyl chloride.
What is the SMILES notation for 4-formyl-2-iodo-6-methylbenzoyl chloride?
The canonical SMILES for 4-formyl-2-iodo-6-methylbenzoyl chloride is Cc1cc(C=O)cc(I)c1C(=O)Cl.
What is the InChIKey of 4-formyl-2-iodo-6-methylbenzoyl chloride?
The InChIKey is HEBQMLXWACCRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIO2/c1-5-2-6(4-12)3-7(11)8(5)9(10)13/h2-4H,1H3.
What are the key properties of 4-formyl-2-iodo-6-methylbenzoyl chloride?
4-formyl-2-iodo-6-methylbenzoyl chloride has a molecular weight of 308.50 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-2-iodo-6-methylbenzoyl chloride is sourced from PubChem (CID 171015604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).