2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide

C10H7Cl3N2OS — CID 66858838

IUPAC2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide
SMILESCc1sc2cnccc2c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3N2OS/c1-5-8(15-9(16)10(11,12)13)6-2-3-14-4-7(6)17-5/h2-4H,1H3,(H,15,16)
InChIKeyWWFHSMNZSXAJOU-UHFFFAOYSA-N
MW309.61 g/mol
LogP3.91
Rot. Bonds1

About 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide

2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide (PubChem CID 66858838) has the molecular formula C10H7Cl3N2OS and a molecular weight of 309.61 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide
PubChem CID66858838
Molecular FormulaC10H7Cl3N2OS
Molecular Weight309.61 g/mol
Exact Mass307.93
IUPAC Name2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide
SMILESCc1sc2cnccc2c1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C10H7Cl3N2OS/c1-5-8(15-9(16)10(11,12)13)6-2-3-14-4-7(6)17-5/h2-4H,1H3,(H,15,16)
InChIKeyWWFHSMNZSXAJOU-UHFFFAOYSA-N
XLogP3.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.61
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide (CID 66858838) is 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide is Cc1sc2cnccc2c1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide?
The InChIKey is WWFHSMNZSXAJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N2OS/c1-5-8(15-9(16)10(11,12)13)6-2-3-14-4-7(6)17-5/h2-4H,1H3,(H,15,16).
What are the key properties of 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide?
2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide has a molecular weight of 309.61 g/mol, XLogP of 3.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(2-methylthieno[2,3-c]pyridin-3-yl)acetamide is sourced from PubChem (CID 66858838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).