3-chloro-2-iodo-5-methylbenzoyl chloride

C8H5Cl2IO — CID 171003452

IUPAC3-chloro-2-iodo-5-methylbenzoyl chloride
SMILESCc1cc(Cl)c(I)c(C(=O)Cl)c1
InChIInChI=1S/C8H5Cl2IO/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3H,1H3
InChIKeyBXQFLQHOKHBTAM-UHFFFAOYSA-N
MW314.94 g/mol
LogP3.63
Rot. Bonds1

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

3-chloro-2-iodo-5-methylbenzoyl chloride (PubChem CID 171003452) has the molecular formula C8H5Cl2IO and a molecular weight of 314.94 g/mol. Its IUPAC name is 3-chloro-2-iodo-5-methylbenzoyl chloride.

Molecular Properties

Compound Name3-chloro-2-iodo-5-methylbenzoyl chloride
PubChem CID171003452
Molecular FormulaC8H5Cl2IO
Molecular Weight314.94 g/mol
Exact Mass313.88
IUPAC Name3-chloro-2-iodo-5-methylbenzoyl chloride
SMILESCc1cc(Cl)c(I)c(C(=O)Cl)c1
InChIInChI=1S/C8H5Cl2IO/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3H,1H3
InChIKeyBXQFLQHOKHBTAM-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.94
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-iodo-5-methylphenyl)ethanone
CID 171003947
3-chloro-2-methoxy-5-methylbenzoyl chloride
CID 50882225
2,6-dichloro-4-methylbenzoyl chloride
CID 15065184
bis(3-chloro-2,5-dimethylphenyl)methanone
CID 139698512
5-bromo-3-chloro-2-methylbenzoyl chloride
CID 171032785
1-(3,5-dichloro-2-iodophenyl)ethanone
CID 171006627
3-chloro-2,5-dimethylbenzamide
CID 171008035
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353
5-chloro-2,4-dimethylbenzoyl chloride
CID 82633624
ethyl 3,5-dichloro-2-iodobenzoate
CID 75361260
2-chloro-6-methoxy-4-methylbenzoyl chloride
CID 171008459
2-(difluoromethyl)-3-iodo-6-methylpyridine-4-carbonyl chloride
CID 118843473

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-iodo-5-methylbenzoyl chloride?
The IUPAC name of 3-chloro-2-iodo-5-methylbenzoyl chloride (CID 171003452) is 3-chloro-2-iodo-5-methylbenzoyl chloride.
What is the SMILES notation for 3-chloro-2-iodo-5-methylbenzoyl chloride?
The canonical SMILES for 3-chloro-2-iodo-5-methylbenzoyl chloride is Cc1cc(Cl)c(I)c(C(=O)Cl)c1.
What is the InChIKey of 3-chloro-2-iodo-5-methylbenzoyl chloride?
The InChIKey is BXQFLQHOKHBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO/c1-4-2-5(8(10)12)7(11)6(9)3-4/h2-3H,1H3.
What are the key properties of 3-chloro-2-iodo-5-methylbenzoyl chloride?
3-chloro-2-iodo-5-methylbenzoyl chloride has a molecular weight of 314.94 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-iodo-5-methylbenzoyl chloride is sourced from PubChem (CID 171003452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).