2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene

C15H8Br3ClS — CID 115354369

IUPAC2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene
SMILESClC(c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H8Br3ClS/c16-11-4-3-8-5-10(2-1-9(8)6-11)14(19)13-7-12(17)15(18)20-13/h1-7,14H
InChIKeyKWJDLSKMSFDFDZ-UHFFFAOYSA-N
MW495.46 g/mol
LogP7.52
Rot. Bonds2

About 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene

2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene (PubChem CID 115354369) has the molecular formula C15H8Br3ClS and a molecular weight of 495.46 g/mol. Its IUPAC name is 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene.

Molecular Properties

Compound Name2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene
PubChem CID115354369
Molecular FormulaC15H8Br3ClS
Molecular Weight495.46 g/mol
Exact Mass491.76
IUPAC Name2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene
SMILESClC(c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H8Br3ClS/c16-11-4-3-8-5-10(2-1-9(8)6-11)14(19)13-7-12(17)15(18)20-13/h1-7,14H
InChIKeyKWJDLSKMSFDFDZ-UHFFFAOYSA-N
XLogP7.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.46
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene?
The IUPAC name of 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene (CID 115354369) is 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene.
What is the SMILES notation for 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene?
The canonical SMILES for 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene is ClC(c1ccc2cc(Br)ccc2c1)c1cc(Br)c(Br)s1.
What is the InChIKey of 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene?
The InChIKey is KWJDLSKMSFDFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br3ClS/c16-11-4-3-8-5-10(2-1-9(8)6-11)14(19)13-7-12(17)15(18)20-13/h1-7,14H.
What are the key properties of 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene?
2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene has a molecular weight of 495.46 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5-[(6-bromonaphthalen-2-yl)-chloromethyl]thiophene is sourced from PubChem (CID 115354369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).