2-methyl-4,5-dihydrothieno[2,3-b]pyridine

C8H9NS — CID 91368202

IUPAC2-methyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=CCC2
InChIInChI=1S/C8H9NS/c1-6-5-7-3-2-4-9-8(7)10-6/h4-5H,2-3H2,1H3
InChIKeyFDLBDEBVEQFDRF-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.71
Rot. Bonds

About 2-methyl-4,5-dihydrothieno[2,3-b]pyridine

2-methyl-4,5-dihydrothieno[2,3-b]pyridine (PubChem CID 91368202) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 2-methyl-4,5-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-methyl-4,5-dihydrothieno[2,3-b]pyridine
PubChem CID91368202
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name2-methyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=CCC2
InChIInChI=1S/C8H9NS/c1-6-5-7-3-2-4-9-8(7)10-6/h4-5H,2-3H2,1H3
InChIKeyFDLBDEBVEQFDRF-UHFFFAOYSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-b]pyridine (CID 91368202) is 2-methyl-4,5-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 2-methyl-4,5-dihydrothieno[2,3-b]pyridine is Cc1cc2c(s1)N=CCC2.
What is the InChIKey of 2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The InChIKey is FDLBDEBVEQFDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-6-5-7-3-2-4-9-8(7)10-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
2-methyl-4,5-dihydrothieno[2,3-b]pyridine has a molecular weight of 151.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 91368202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).