2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride

C8H10ClNS — CID 140995213

IUPAC2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)C=NCC2.Cl
InChIInChI=1S/C8H9NS.ClH/c1-6-4-7-2-3-9-5-8(7)10-6;/h4-5H,2-3H2,1H3;1H
InChIKeyAKJWGUORYRHBNN-UHFFFAOYSA-N
MW187.69 g/mol
LogP2.45
Rot. Bonds

About 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride

2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride (PubChem CID 140995213) has the molecular formula C8H10ClNS and a molecular weight of 187.69 g/mol. Its IUPAC name is 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride
PubChem CID140995213
Molecular FormulaC8H10ClNS
Molecular Weight187.69 g/mol
Exact Mass187.02
IUPAC Name2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride
SMILESCc1cc2c(s1)C=NCC2.Cl
InChIInChI=1S/C8H9NS.ClH/c1-6-4-7-2-3-9-5-8(7)10-6;/h4-5H,2-3H2,1H3;1H
InChIKeyAKJWGUORYRHBNN-UHFFFAOYSA-N
XLogP2.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.69
LogP ≤ 52.45
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-c]pyridine;hydrochloride?
The IUPAC name of 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride (CID 140995213) is 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride is Cc1cc2c(s1)C=NCC2.Cl.
What is the InChIKey of 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride?
The InChIKey is AKJWGUORYRHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS.ClH/c1-6-4-7-2-3-9-5-8(7)10-6;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride?
2-methyl-4,5-dihydrothieno[2,3-c]pyridine;hydrochloride has a molecular weight of 187.69 g/mol, XLogP of 2.45, 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-c]pyridine;hydrochloride is sourced from PubChem (CID 140995213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).