2-chloro-5-iodo-3-(methoxymethyl)thiophene

C6H6ClIOS — CID 137491029

IUPAC2-chloro-5-iodo-3-(methoxymethyl)thiophene
SMILESCOCc1cc(I)sc1Cl
InChIInChI=1S/C6H6ClIOS/c1-9-3-4-2-5(8)10-6(4)7/h2H,3H2,1H3
InChIKeyRGCINUDHMBRCST-UHFFFAOYSA-N
MW288.54 g/mol
LogP3.15
Rot. Bonds2

About 2-chloro-5-iodo-3-(methoxymethyl)thiophene

2-chloro-5-iodo-3-(methoxymethyl)thiophene (PubChem CID 137491029) has the molecular formula C6H6ClIOS and a molecular weight of 288.54 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-(methoxymethyl)thiophene.

Molecular Properties

Compound Name2-chloro-5-iodo-3-(methoxymethyl)thiophene
PubChem CID137491029
Molecular FormulaC6H6ClIOS
Molecular Weight288.54 g/mol
Exact Mass287.89
IUPAC Name2-chloro-5-iodo-3-(methoxymethyl)thiophene
SMILESCOCc1cc(I)sc1Cl
InChIInChI=1S/C6H6ClIOS/c1-9-3-4-2-5(8)10-6(4)7/h2H,3H2,1H3
InChIKeyRGCINUDHMBRCST-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N,5-diiodo-N-methylthiophen-3-amine
CID 163526259
2,5-dichloro-3-(methoxymethyl)pyridine
CID 86699714
1-fluoro-4-iodo-2-(methoxymethyl)benzene
CID 146035295
5-chloro-3-(methoxymethyl)-1-benzofuran
CID 117174343
2-chloro-5-fluoro-3-(methoxymethyl)pyridine
CID 86626262
5-bromo-2-chloro-4-(methoxymethyl)pyridine
CID 142612458
4-iodo-2-(methoxymethyl)-1-propan-2-ylbenzene
CID 146408442
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973815
methyl 2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate
CID 68973813
2-(2-amino-1-hydroxyethyl)-4-chloro-5-(methoxymethyl)phenol
CID 83894968
methyl (2S)-2-amino-3-(2,5-dichlorothiophen-3-yl)propanoate;hydrochloride
CID 68973814
[6-chloro-4-(methoxymethyl)-3-pyridinyl]methanol
CID 139400692

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-3-(methoxymethyl)thiophene?
The IUPAC name of 2-chloro-5-iodo-3-(methoxymethyl)thiophene (CID 137491029) is 2-chloro-5-iodo-3-(methoxymethyl)thiophene.
What is the SMILES notation for 2-chloro-5-iodo-3-(methoxymethyl)thiophene?
The canonical SMILES for 2-chloro-5-iodo-3-(methoxymethyl)thiophene is COCc1cc(I)sc1Cl.
What is the InChIKey of 2-chloro-5-iodo-3-(methoxymethyl)thiophene?
The InChIKey is RGCINUDHMBRCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClIOS/c1-9-3-4-2-5(8)10-6(4)7/h2H,3H2,1H3.
What are the key properties of 2-chloro-5-iodo-3-(methoxymethyl)thiophene?
2-chloro-5-iodo-3-(methoxymethyl)thiophene has a molecular weight of 288.54 g/mol, XLogP of 3.15, 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-(methoxymethyl)thiophene is sourced from PubChem (CID 137491029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).