5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

C15H17Cl2NS — CID 70273409

IUPAC5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1Cc2sccc2CN1Cc1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-11-8-15-13(6-7-18-15)10-17(11)9-12-4-2-3-5-14(12)16;/h2-7,11H,8-10H2,1H3;1H
InChIKeyPYFYSTJNTYZBAJ-UHFFFAOYSA-N
MW314.28 g/mol
LogP4.77
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride

5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 70273409) has the molecular formula C15H17Cl2NS and a molecular weight of 314.28 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID70273409
Molecular FormulaC15H17Cl2NS
Molecular Weight314.28 g/mol
Exact Mass313.05
IUPAC Name5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCC1Cc2sccc2CN1Cc1ccccc1Cl.Cl
InChIInChI=1S/C15H16ClNS.ClH/c1-11-8-15-13(6-7-18-15)10-17(11)9-12-4-2-3-5-14(12)16;/h2-7,11H,8-10H2,1H3;1H
InChIKeyPYFYSTJNTYZBAJ-UHFFFAOYSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 70273409) is 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is CC1Cc2sccc2CN1Cc1ccccc1Cl.Cl.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is PYFYSTJNTYZBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNS.ClH/c1-11-8-15-13(6-7-18-15)10-17(11)9-12-4-2-3-5-14(12)16;/h2-7,11H,8-10H2,1H3;1H.
What are the key properties of 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 314.28 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-6-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 70273409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).