2-chloro-5-iodo-3-methoxybenzoyl chloride

C8H5Cl2IO2 — CID 171002829

IUPAC2-chloro-5-iodo-3-methoxybenzoyl chloride
SMILESCOc1cc(I)cc(C(=O)Cl)c1Cl
InChIInChI=1S/C8H5Cl2IO2/c1-13-6-3-4(11)2-5(7(6)9)8(10)12/h2-3H,1H3
InChIKeyRPLITRUHQKDXPP-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.33
Rot. Bonds2

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

2-chloro-5-iodo-3-methoxybenzoyl chloride (PubChem CID 171002829) has the molecular formula C8H5Cl2IO2 and a molecular weight of 330.94 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-chloro-5-iodo-3-methoxybenzoyl chloride
PubChem CID171002829
Molecular FormulaC8H5Cl2IO2
Molecular Weight330.94 g/mol
Exact Mass329.87
IUPAC Name2-chloro-5-iodo-3-methoxybenzoyl chloride
SMILESCOc1cc(I)cc(C(=O)Cl)c1Cl
InChIInChI=1S/C8H5Cl2IO2/c1-13-6-3-4(11)2-5(7(6)9)8(10)12/h2-3H,1H3
InChIKeyRPLITRUHQKDXPP-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.94
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-(2-chloro-5-iodo-3-methoxyphenyl)ethanone
CID 171003177
2,6-dichloro-3,5-dimethoxybenzoyl chloride
CID 156633344
5-chloro-2,4-dimethoxybenzoyl chloride
CID 18687442
3-formyl-5-iodo-2-methoxybenzoyl chloride
CID 171015865
3,4-dichloro-5-methoxybenzoyl chloride
CID 21483940
2-iodo-3-methoxybenzoyl chloride
CID 14104555
2-chloro-5-methoxy-3-methylbenzoyl chloride
CID 171008342
5-formyl-2-iodo-4-methoxybenzoyl chloride
CID 171015548
2-iodo-4-methoxy-3-methylbenzoyl chloride
CID 171011084
2-cyano-5-iodo-3-methoxybenzamide
CID 171025537
2-chloro-5-fluoro-3-methoxybenzamide
CID 171005053
4-chloro-2,6-dimethoxybenzoyl chloride
CID 21317234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-3-methoxybenzoyl chloride?
The IUPAC name of 2-chloro-5-iodo-3-methoxybenzoyl chloride (CID 171002829) is 2-chloro-5-iodo-3-methoxybenzoyl chloride.
What is the SMILES notation for 2-chloro-5-iodo-3-methoxybenzoyl chloride?
The canonical SMILES for 2-chloro-5-iodo-3-methoxybenzoyl chloride is COc1cc(I)cc(C(=O)Cl)c1Cl.
What is the InChIKey of 2-chloro-5-iodo-3-methoxybenzoyl chloride?
The InChIKey is RPLITRUHQKDXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO2/c1-13-6-3-4(11)2-5(7(6)9)8(10)12/h2-3H,1H3.
What are the key properties of 2-chloro-5-iodo-3-methoxybenzoyl chloride?
2-chloro-5-iodo-3-methoxybenzoyl chloride has a molecular weight of 330.94 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-3-methoxybenzoyl chloride is sourced from PubChem (CID 171002829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).