3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one

C8H6ClNOS — CID 57494354

IUPAC3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1sc2[nH]ccc(=O)c2c1Cl
InChIInChI=1S/C8H6ClNOS/c1-4-7(9)6-5(11)2-3-10-8(6)12-4/h2-3H,1H3,(H,10,11)
InChIKeyXOXXBFVURICVCE-UHFFFAOYSA-N
MW199.66 g/mol
LogP2.55
Rot. Bonds

About 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one

3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one (PubChem CID 57494354) has the molecular formula C8H6ClNOS and a molecular weight of 199.66 g/mol. Its IUPAC name is 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one
PubChem CID57494354
Molecular FormulaC8H6ClNOS
Molecular Weight199.66 g/mol
Exact Mass198.99
IUPAC Name3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one
SMILESCc1sc2[nH]ccc(=O)c2c1Cl
InChIInChI=1S/C8H6ClNOS/c1-4-7(9)6-5(11)2-3-10-8(6)12-4/h2-3H,1H3,(H,10,11)
InChIKeyXOXXBFVURICVCE-UHFFFAOYSA-N
XLogP2.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The IUPAC name of 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one (CID 57494354) is 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one.
What is the SMILES notation for 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The canonical SMILES for 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one is Cc1sc2[nH]ccc(=O)c2c1Cl.
What is the InChIKey of 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
The InChIKey is XOXXBFVURICVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNOS/c1-4-7(9)6-5(11)2-3-10-8(6)12-4/h2-3H,1H3,(H,10,11).
What are the key properties of 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one?
3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one has a molecular weight of 199.66 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-7H-thieno[2,3-b]pyridin-4-one is sourced from PubChem (CID 57494354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).