6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol

C9H8ClNO2S — CID 177202395

IUPAC6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc2ccc(Cl)nc2s1
InChIInChI=1S/C8H4ClNOS.CH4O/c9-7-2-1-5-3-6(4-11)12-8(5)10-7;1-2/h1-4H;2H,1H3
InChIKeyIOWCHQAYSYTWCJ-UHFFFAOYSA-N
MW229.69 g/mol
LogP2.37
Rot. Bonds1

About 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol

6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol (PubChem CID 177202395) has the molecular formula C9H8ClNO2S and a molecular weight of 229.69 g/mol. Its IUPAC name is 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol.

Molecular Properties

Compound Name6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
PubChem CID177202395
Molecular FormulaC9H8ClNO2S
Molecular Weight229.69 g/mol
Exact Mass229.00
IUPAC Name6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
SMILESCO.O=Cc1cc2ccc(Cl)nc2s1
InChIInChI=1S/C8H4ClNOS.CH4O/c9-7-2-1-5-3-6(4-11)12-8(5)10-7;1-2/h1-4H;2H,1H3
InChIKeyIOWCHQAYSYTWCJ-UHFFFAOYSA-N
XLogP2.37
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol?
The IUPAC name of 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol (CID 177202395) is 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol.
What is the SMILES notation for 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol?
The canonical SMILES for 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol is CO.O=Cc1cc2ccc(Cl)nc2s1.
What is the InChIKey of 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol?
The InChIKey is IOWCHQAYSYTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNOS.CH4O/c9-7-2-1-5-3-6(4-11)12-8(5)10-7;1-2/h1-4H;2H,1H3.
What are the key properties of 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol?
6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol has a molecular weight of 229.69 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol is sourced from PubChem (CID 177202395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).