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

C8H8ClNS — CID 89151709

IUPAC6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=C(Cl)CC2
InChIInChI=1S/C8H8ClNS/c1-5-4-6-2-3-7(9)10-8(6)11-5/h4H,2-3H2,1H3
InChIKeyGIMHCJOTLFXBBP-UHFFFAOYSA-N
MW185.68 g/mol
LogP3.27
Rot. Bonds

About 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine

6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine (PubChem CID 89151709) has the molecular formula C8H8ClNS and a molecular weight of 185.68 g/mol. Its IUPAC name is 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine
PubChem CID89151709
Molecular FormulaC8H8ClNS
Molecular Weight185.68 g/mol
Exact Mass185.01
IUPAC Name6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine
SMILESCc1cc2c(s1)N=C(Cl)CC2
InChIInChI=1S/C8H8ClNS/c1-5-4-6-2-3-7(9)10-8(6)11-5/h4H,2-3H2,1H3
InChIKeyGIMHCJOTLFXBBP-UHFFFAOYSA-N
XLogP3.27
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.68
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The IUPAC name of 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine (CID 89151709) is 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine.
What is the SMILES notation for 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The canonical SMILES for 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine is Cc1cc2c(s1)N=C(Cl)CC2.
What is the InChIKey of 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
The InChIKey is GIMHCJOTLFXBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNS/c1-5-4-6-2-3-7(9)10-8(6)11-5/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine?
6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine has a molecular weight of 185.68 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4,5-dihydrothieno[2,3-b]pyridine is sourced from PubChem (CID 89151709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).