2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

C14H13Br2NS — CID 20546719

IUPAC2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc(Br)cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H13Br2NS/c1-17-7-12(9-2-4-10(15)5-3-9)11-6-14(16)18-13(11)8-17/h2-6,12H,7-8H2,1H3
InChIKeyMPTJEIVSVWZMNX-UHFFFAOYSA-N
MW387.14 g/mol
LogP4.85
Rot. Bonds1

About 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine

2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (PubChem CID 20546719) has the molecular formula C14H13Br2NS and a molecular weight of 387.14 g/mol. Its IUPAC name is 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
PubChem CID20546719
Molecular FormulaC14H13Br2NS
Molecular Weight387.14 g/mol
Exact Mass384.91
IUPAC Name2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
SMILESCN1Cc2sc(Br)cc2C(c2ccc(Br)cc2)C1
InChIInChI=1S/C14H13Br2NS/c1-17-7-12(9-2-4-10(15)5-3-9)11-6-14(16)18-13(11)8-17/h2-6,12H,7-8H2,1H3
InChIKeyMPTJEIVSVWZMNX-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.14
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The IUPAC name of 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine (CID 20546719) is 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is CN1Cc2sc(Br)cc2C(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
The InChIKey is MPTJEIVSVWZMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NS/c1-17-7-12(9-2-4-10(15)5-3-9)11-6-14(16)18-13(11)8-17/h2-6,12H,7-8H2,1H3.
What are the key properties of 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine?
2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine has a molecular weight of 387.14 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(4-bromophenyl)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 20546719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).