2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde

C10H7IO2S — CID 131145576

IUPAC2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(I)sc12
InChIInChI=1S/C10H7IO2S/c1-13-8-3-2-6(5-12)7-4-9(11)14-10(7)8/h2-5H,1H3
InChIKeyCCLRPMAXCBGYDW-UHFFFAOYSA-N
MW318.14 g/mol
LogP3.33
Rot. Bonds2

About 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde

2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde (PubChem CID 131145576) has the molecular formula C10H7IO2S and a molecular weight of 318.14 g/mol. Its IUPAC name is 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde.

Molecular Properties

Compound Name2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
PubChem CID131145576
Molecular FormulaC10H7IO2S
Molecular Weight318.14 g/mol
Exact Mass317.92
IUPAC Name2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
SMILESCOc1ccc(C=O)c2cc(I)sc12
InChIInChI=1S/C10H7IO2S/c1-13-8-3-2-6(5-12)7-4-9(11)14-10(7)8/h2-5H,1H3
InChIKeyCCLRPMAXCBGYDW-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-methoxy-1-benzothiophene-7-carbaldehyde
CID 130898847
2,7-diiodo-6-methoxy-1-benzothiophene
CID 131215410
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
4-iodo-3-methoxy-1-benzothiophene-5-carbaldehyde
CID 131123421
4,7-dimethoxy-2-methyl-1-benzothiophene
CID 22890914
7-fluoro-2-methoxy-1-benzothiophene-6-carbaldehyde
CID 131215370
5,8-dimethoxy-2-methylquinoline-3-carbaldehyde
CID 15672393
4-(bromomethyl)-2-iodo-1-benzothiophene-5-carbaldehyde
CID 130971650
methyl 4-formyl-7-phenylmethoxy-1-benzothiophene-2-carboxylate
CID 174245692
4-methoxy-1-benzothiophene-5-carbaldehyde
CID 18542549
4-fluoro-2-methoxybenzaldehyde
CID 2774537
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314

Frequently Asked Questions

What is the IUPAC name of 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde?
The IUPAC name of 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde (CID 131145576) is 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde.
What is the SMILES notation for 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde?
The canonical SMILES for 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde is COc1ccc(C=O)c2cc(I)sc12.
What is the InChIKey of 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde?
The InChIKey is CCLRPMAXCBGYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IO2S/c1-13-8-3-2-6(5-12)7-4-9(11)14-10(7)8/h2-5H,1H3.
What are the key properties of 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde?
2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde has a molecular weight of 318.14 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde is sourced from PubChem (CID 131145576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).