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

C14H14Cl3NS — CID 3041298

IUPAC5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CN1CCc2sccc2C1
InChIInChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-3-13(16)11(12)9-17-6-4-14-10(8-17)5-7-18-14;/h1-3,5,7H,4,6,8-9H2;1H
InChIKeyQXHZVRGQPHQYDJ-UHFFFAOYSA-N
MW334.70 g/mol
LogP5.03
Rot. Bonds2

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

5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (PubChem CID 3041298) has the molecular formula C14H14Cl3NS and a molecular weight of 334.70 g/mol. Its IUPAC name is 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
PubChem CID3041298
Molecular FormulaC14H14Cl3NS
Molecular Weight334.70 g/mol
Exact Mass332.99
IUPAC Name5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride
SMILESCl.Clc1cccc(Cl)c1CN1CCc2sccc2C1
InChIInChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-3-13(16)11(12)9-17-6-4-14-10(8-17)5-7-18-14;/h1-3,5,7H,4,6,8-9H2;1H
InChIKeyQXHZVRGQPHQYDJ-UHFFFAOYSA-N
XLogP5.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.70
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride (CID 3041298) is 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is Cl.Clc1cccc(Cl)c1CN1CCc2sccc2C1.
What is the InChIKey of 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
The InChIKey is QXHZVRGQPHQYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NS.ClH/c15-12-2-1-3-13(16)11(12)9-17-6-4-14-10(8-17)5-7-18-14;/h1-3,5,7H,4,6,8-9H2;1H.
What are the key properties of 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride?
5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride has a molecular weight of 334.70 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dichlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 3041298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).