2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene

C15H9Br3S — CID 63443034

IUPAC2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
SMILESBrc1cc(C(Br)c2cccc3ccccc23)c(Br)s1
InChIInChI=1S/C15H9Br3S/c16-13-8-12(15(18)19-13)14(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyHWKNBSSYDWRTPA-UHFFFAOYSA-N
MW461.02 g/mol
LogP6.91
Rot. Bonds2

About 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene

2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene (PubChem CID 63443034) has the molecular formula C15H9Br3S and a molecular weight of 461.02 g/mol. Its IUPAC name is 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene.

Molecular Properties

Compound Name2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
PubChem CID63443034
Molecular FormulaC15H9Br3S
Molecular Weight461.02 g/mol
Exact Mass457.80
IUPAC Name2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene
SMILESBrc1cc(C(Br)c2cccc3ccccc23)c(Br)s1
InChIInChI=1S/C15H9Br3S/c16-13-8-12(15(18)19-13)14(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H
InChIKeyHWKNBSSYDWRTPA-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.02
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,5-dibromothiophen-3-yl)-naphthalen-1-ylmethyl]hydrazine
CID 107970229
2,5-dibromo-3-(1-bromo-2-naphthalen-1-ylethyl)thiophene
CID 107965769
3-[bromo(naphthalen-1-yl)methyl]-2,5-dichlorothiophene
CID 63444904
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
2,5-dibromo-3-(1-bromo-2-naphthalen-2-ylethyl)thiophene
CID 107965761
5-[bromo(naphthalen-1-yl)methyl]thieno[3,2-b]thiophene
CID 80739039
2,5-dibromo-3-[bromo-(4-bromo-2-fluorophenyl)methyl]thiophene
CID 63442594
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(2-methylnaphthalen-1-yl)methanamine
CID 107961216
1-[bromo-(4-chloro-2,5-difluorophenyl)methyl]naphthalene
CID 82772676
1-[bromo-(3,4-dimethylphenyl)methyl]naphthalene
CID 63435816
2,5-dibromo-3-[bromo-(5-bromo-2-ethoxyphenyl)methyl]thiophene
CID 107964720
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene?
The IUPAC name of 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene (CID 63443034) is 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene.
What is the SMILES notation for 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene?
The canonical SMILES for 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene is Brc1cc(C(Br)c2cccc3ccccc23)c(Br)s1.
What is the InChIKey of 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene?
The InChIKey is HWKNBSSYDWRTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br3S/c16-13-8-12(15(18)19-13)14(17)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,14H.
What are the key properties of 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene?
2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene has a molecular weight of 461.02 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-3-[bromo(naphthalen-1-yl)methyl]thiophene is sourced from PubChem (CID 63443034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).