4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde

C10H8INOS — CID 59606746

IUPAC4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde
SMILESCc1cc2c(I)c(C=O)c(C)nc2s1
InChIInChI=1S/C10H8INOS/c1-5-3-7-9(11)8(4-13)6(2)12-10(7)14-5/h3-4H,1-2H3
InChIKeyCVKARRKHDWSXTP-UHFFFAOYSA-N
MW317.15 g/mol
LogP3.33
Rot. Bonds1

About 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde

4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde (PubChem CID 59606746) has the molecular formula C10H8INOS and a molecular weight of 317.15 g/mol. Its IUPAC name is 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde
PubChem CID59606746
Molecular FormulaC10H8INOS
Molecular Weight317.15 g/mol
Exact Mass316.94
IUPAC Name4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde
SMILESCc1cc2c(I)c(C=O)c(C)nc2s1
InChIInChI=1S/C10H8INOS/c1-5-3-7-9(11)8(4-13)6(2)12-10(7)14-5/h3-4H,1-2H3
InChIKeyCVKARRKHDWSXTP-UHFFFAOYSA-N
XLogP3.33
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
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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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde (CID 59606746) is 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde is Cc1cc2c(I)c(C=O)c(C)nc2s1.
What is the InChIKey of 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde?
The InChIKey is CVKARRKHDWSXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INOS/c1-5-3-7-9(11)8(4-13)6(2)12-10(7)14-5/h3-4H,1-2H3.
What are the key properties of 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde?
4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde has a molecular weight of 317.15 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,6-dimethylthieno[2,3-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 59606746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).