3-formyl-5-iodo-2-methoxybenzoyl chloride

C9H6ClIO3 — CID 171015865

IUPAC3-formyl-5-iodo-2-methoxybenzoyl chloride
SMILESCOc1c(C=O)cc(I)cc1C(=O)Cl
InChIInChI=1S/C9H6ClIO3/c1-14-8-5(4-12)2-6(11)3-7(8)9(10)13/h2-4H,1H3
InChIKeyYEXOMSAVIUPYCE-UHFFFAOYSA-N
MW324.50 g/mol
LogP2.49
Rot. Bonds3

About 3-formyl-5-iodo-2-methoxybenzoyl chloride

3-formyl-5-iodo-2-methoxybenzoyl chloride (PubChem CID 171015865) has the molecular formula C9H6ClIO3 and a molecular weight of 324.50 g/mol. Its IUPAC name is 3-formyl-5-iodo-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name3-formyl-5-iodo-2-methoxybenzoyl chloride
PubChem CID171015865
Molecular FormulaC9H6ClIO3
Molecular Weight324.50 g/mol
Exact Mass323.91
IUPAC Name3-formyl-5-iodo-2-methoxybenzoyl chloride
SMILESCOc1c(C=O)cc(I)cc1C(=O)Cl
InChIInChI=1S/C9H6ClIO3/c1-14-8-5(4-12)2-6(11)3-7(8)9(10)13/h2-4H,1H3
InChIKeyYEXOMSAVIUPYCE-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-methoxybenzoyl chloride
CID 171015548
2-chloro-5-iodo-3-methoxybenzoyl chloride
CID 171002829
3-acetyl-2-chloro-5-iodobenzaldehyde
CID 171002088
3-fluoro-5-formyl-4-methoxybenzoyl chloride
CID 163229934
5-iodo-2-methoxy-3-methylbenzoate
CID 131739020
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
4-methoxy-2,3,5-trimethylbenzoyl chloride
CID 116924645
2-(2-bromoacetyl)-5-iodo-3-methoxybenzaldehyde
CID 171015273
methyl 6-formyl-3-hydroxy-4-iodo-2-methoxybenzoate
CID 11393527
2-formyl-4-iodo-6-(trifluoromethyl)benzoyl chloride
CID 171021154
3-fluoro-5-iodo-2-propan-2-yloxybenzaldehyde
CID 164892812
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225

Frequently Asked Questions

What is the IUPAC name of 3-formyl-5-iodo-2-methoxybenzoyl chloride?
The IUPAC name of 3-formyl-5-iodo-2-methoxybenzoyl chloride (CID 171015865) is 3-formyl-5-iodo-2-methoxybenzoyl chloride.
What is the SMILES notation for 3-formyl-5-iodo-2-methoxybenzoyl chloride?
The canonical SMILES for 3-formyl-5-iodo-2-methoxybenzoyl chloride is COc1c(C=O)cc(I)cc1C(=O)Cl.
What is the InChIKey of 3-formyl-5-iodo-2-methoxybenzoyl chloride?
The InChIKey is YEXOMSAVIUPYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClIO3/c1-14-8-5(4-12)2-6(11)3-7(8)9(10)13/h2-4H,1H3.
What are the key properties of 3-formyl-5-iodo-2-methoxybenzoyl chloride?
3-formyl-5-iodo-2-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 3-formyl-5-iodo-2-methoxybenzoyl chloride is sourced from PubChem (CID 171015865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).