2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine

C20H13BrFNS — CID 66607871

IUPAC2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
SMILESFc1c(Cc2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12
InChIInChI=1S/C20H13BrFNS/c21-17-12-13(20(22)16-6-2-1-5-15(16)17)11-14-8-9-19(24-14)18-7-3-4-10-23-18/h1-10,12H,11H2
InChIKeyUHGINZHQWURUKD-UHFFFAOYSA-N
MW398.30 g/mol
LogP6.46
Rot. Bonds3

About 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine

2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine (PubChem CID 66607871) has the molecular formula C20H13BrFNS and a molecular weight of 398.30 g/mol. Its IUPAC name is 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
PubChem CID66607871
Molecular FormulaC20H13BrFNS
Molecular Weight398.30 g/mol
Exact Mass396.99
IUPAC Name2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine
SMILESFc1c(Cc2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12
InChIInChI=1S/C20H13BrFNS/c21-17-12-13(20(22)16-6-2-1-5-15(16)17)11-14-8-9-19(24-14)18-7-3-4-10-23-18/h1-10,12H,11H2
InChIKeyUHGINZHQWURUKD-UHFFFAOYSA-N
XLogP6.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.30
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(5-ethylthiophen-2-yl)pyridine
CID 142831461
2-[5-[5-(5-pyridin-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyridine
CID 102384658
2-[5-(2,2-dimethylpropyl)thiophen-2-yl]pyridine
CID 59453583
2-(5-tridecylthiophen-2-yl)pyridine
CID 24787944
3-(5-pyridin-2-ylthiophen-2-yl)propanoic acid
CID 22326481
1-[(5-pyridin-2-ylthiophen-2-yl)methyl]azepane
CID 18700032
2-(4-fluoro-1-benzothiophen-2-yl)pyridine
CID 102139061
dichloroiron;2-(5-pyridin-2-ylthiophen-2-yl)pyridine
CID 22968583
(3R)-6-fluoro-6'-methyl-5-[(5-pyridin-2-ylthiophen-2-yl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-4'-ol
CID 134469414
1-hydroxy-1-[(5-pyridin-2-ylthiophen-2-yl)methyl]urea
CID 54516710
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061
ethane;3-(2-methylpropyl)pyridine;2-[5-(2-methylpropyl)thiophen-2-yl]pyridine
CID 143675924

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine (CID 66607871) is 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine is Fc1c(Cc2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12.
What is the InChIKey of 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
The InChIKey is UHGINZHQWURUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrFNS/c21-17-12-13(20(22)16-6-2-1-5-15(16)17)11-14-8-9-19(24-14)18-7-3-4-10-23-18/h1-10,12H,11H2.
What are the key properties of 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine?
2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine has a molecular weight of 398.30 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-bromo-1-fluoronaphthalen-2-yl)methyl]thiophen-2-yl]pyridine is sourced from PubChem (CID 66607871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).