2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

C14H15Cl2NS — CID 20546726

IUPAC2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H
InChIKeyMXGOXIIIQBZZTQ-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.40
Rot. Bonds1

About 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride

2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (PubChem CID 20546726) has the molecular formula C14H15Cl2NS and a molecular weight of 300.25 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
PubChem CID20546726
Molecular FormulaC14H15Cl2NS
Molecular Weight300.25 g/mol
Exact Mass299.03
IUPAC Name2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
SMILESCN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl
InChIInChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H
InChIKeyMXGOXIIIQBZZTQ-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The IUPAC name of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride (CID 20546726) is 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The canonical SMILES for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is CN1Cc2sc(Cl)cc2C(c2ccccc2)C1.Cl.
What is the InChIKey of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
The InChIKey is MXGOXIIIQBZZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS.ClH/c1-16-8-12(10-5-3-2-4-6-10)11-7-14(15)17-13(11)9-16;/h2-7,12H,8-9H2,1H3;1H.
What are the key properties of 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride?
2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride has a molecular weight of 300.25 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-phenyl-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride is sourced from PubChem (CID 20546726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).