6-chloro-3-iodo-2-methoxybenzoyl chloride

C8H5Cl2IO2 — CID 171003173

IUPAC6-chloro-3-iodo-2-methoxybenzoyl chloride
SMILESCOc1c(I)ccc(Cl)c1C(=O)Cl
InChIInChI=1S/C8H5Cl2IO2/c1-13-7-5(11)3-2-4(9)6(7)8(10)12/h2-3H,1H3
InChIKeyLOZGSMGIWRMHHW-UHFFFAOYSA-N
MW330.94 g/mol
LogP3.33
Rot. Bonds2

About 6-chloro-3-iodo-2-methoxybenzoyl chloride

6-chloro-3-iodo-2-methoxybenzoyl chloride (PubChem CID 171003173) has the molecular formula C8H5Cl2IO2 and a molecular weight of 330.94 g/mol. Its IUPAC name is 6-chloro-3-iodo-2-methoxybenzoyl chloride.

Molecular Properties

Compound Name6-chloro-3-iodo-2-methoxybenzoyl chloride
PubChem CID171003173
Molecular FormulaC8H5Cl2IO2
Molecular Weight330.94 g/mol
Exact Mass329.87
IUPAC Name6-chloro-3-iodo-2-methoxybenzoyl chloride
SMILESCOc1c(I)ccc(Cl)c1C(=O)Cl
InChIInChI=1S/C8H5Cl2IO2/c1-13-7-5(11)3-2-4(9)6(7)8(10)12/h2-3H,1H3
InChIKeyLOZGSMGIWRMHHW-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

6-chloro-2-methoxy-3-(trifluoromethyl)benzoyl chloride
CID 171002787
4-iodo-2,3-dimethoxybenzoyl chloride
CID 131075757
3-iodo-2,6-dimethoxybenzoic acid
CID 13493770
3-chloro-2-fluoro-6-iodobenzoyl chloride
CID 164895010
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
3-bromo-5-chloro-2,6-dimethoxybenzoyl chloride
CID 13202164
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
2,4-diiodo-3-methoxy-6-methylbenzoyl chloride
CID 163968240
methyl 2-amino-6-chloro-3-iodobenzoate
CID 126738254
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
2,4,6-triiodo-3-methoxy-5-methylbenzoyl chloride
CID 18439224

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-iodo-2-methoxybenzoyl chloride?
The IUPAC name of 6-chloro-3-iodo-2-methoxybenzoyl chloride (CID 171003173) is 6-chloro-3-iodo-2-methoxybenzoyl chloride.
What is the SMILES notation for 6-chloro-3-iodo-2-methoxybenzoyl chloride?
The canonical SMILES for 6-chloro-3-iodo-2-methoxybenzoyl chloride is COc1c(I)ccc(Cl)c1C(=O)Cl.
What is the InChIKey of 6-chloro-3-iodo-2-methoxybenzoyl chloride?
The InChIKey is LOZGSMGIWRMHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2IO2/c1-13-7-5(11)3-2-4(9)6(7)8(10)12/h2-3H,1H3.
What are the key properties of 6-chloro-3-iodo-2-methoxybenzoyl chloride?
6-chloro-3-iodo-2-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 6-chloro-3-iodo-2-methoxybenzoyl chloride is sourced from PubChem (CID 171003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).