2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine

C20H22BrNS2 — CID 159203469

IUPAC2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine
SMILESCCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(Br)c2)s1
InChIInChI=1S/C20H22BrNS2/c1-3-4-5-6-7-16-12-14(2)23-20(16)18-9-8-17(24-18)15-10-11-22-19(21)13-15/h8-13H,3-7H2,1-2H3
InChIKeyZUYBVFKNUVHUKY-UHFFFAOYSA-N
MW420.44 g/mol
LogP7.73
Rot. Bonds7

About 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine

2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine (PubChem CID 159203469) has the molecular formula C20H22BrNS2 and a molecular weight of 420.44 g/mol. Its IUPAC name is 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine
PubChem CID159203469
Molecular FormulaC20H22BrNS2
Molecular Weight420.44 g/mol
Exact Mass419.04
IUPAC Name2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine
SMILESCCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(Br)c2)s1
InChIInChI=1S/C20H22BrNS2/c1-3-4-5-6-7-16-12-14(2)23-20(16)18-9-8-17(24-18)15-10-11-22-19(21)13-15/h8-13H,3-7H2,1-2H3
InChIKeyZUYBVFKNUVHUKY-UHFFFAOYSA-N
XLogP7.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.44
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine 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

3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
3-hexyl-2-[5-[5-[3-hexyl-5-(3-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58121713
[4-hexyl-5-[5-(3-hexyl-5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 170898127
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
tetrakis(carbon dioxide);4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[4-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine;4-ethyl-2-(4-ethyl-2-pyridinyl)-6-[4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 158619139
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-[3-hexyl-5-[3-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylphenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-phenylthiophene
CID 88975831
2-bromo-5-[5-[5-[5-[5-(5-bromo-4-hexylthiophen-2-yl)-3-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-4-hexylthiophen-2-yl]-3-hexylthiophene
CID 102588392
2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene
CID 23398510
3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine?
The IUPAC name of 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine (CID 159203469) is 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine is CCCCCCc1cc(C)sc1-c1ccc(-c2ccnc(Br)c2)s1.
What is the InChIKey of 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine?
The InChIKey is ZUYBVFKNUVHUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNS2/c1-3-4-5-6-7-16-12-14(2)23-20(16)18-9-8-17(24-18)15-10-11-22-19(21)13-15/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine?
2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine has a molecular weight of 420.44 g/mol, XLogP of 7.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine is sourced from PubChem (CID 159203469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).