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

C19H11BrFNS — CID 141106928

IUPAC2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine
SMILESFc1c(-c2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12
InChIInChI=1S/C19H11BrFNS/c20-15-11-14(19(21)13-6-2-1-5-12(13)15)17-8-9-18(23-17)16-7-3-4-10-22-16/h1-11H
InChIKeyKYGUPUROPKUNHO-UHFFFAOYSA-N
MW384.27 g/mol
LogP6.53
Rot. Bonds2

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

2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine (PubChem CID 141106928) has the molecular formula C19H11BrFNS and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine
PubChem CID141106928
Molecular FormulaC19H11BrFNS
Molecular Weight384.27 g/mol
Exact Mass382.98
IUPAC Name2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine
SMILESFc1c(-c2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12
InChIInChI=1S/C19H11BrFNS/c20-15-11-14(19(21)13-6-2-1-5-12(13)15)17-8-9-18(23-17)16-7-3-4-10-22-16/h1-11H
InChIKeyKYGUPUROPKUNHO-UHFFFAOYSA-N
XLogP6.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine?
The IUPAC name of 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine (CID 141106928) is 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine.
What is the SMILES notation for 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine?
The canonical SMILES for 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine is Fc1c(-c2ccc(-c3ccccn3)s2)cc(Br)c2ccccc12.
What is the InChIKey of 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine?
The InChIKey is KYGUPUROPKUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11BrFNS/c20-15-11-14(19(21)13-6-2-1-5-12(13)15)17-8-9-18(23-17)16-7-3-4-10-22-16/h1-11H.
What are the key properties of 2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine?
2-[5-(4-bromo-1-fluoronaphthalen-2-yl)thiophen-2-yl]pyridine has a molecular weight of 384.27 g/mol, XLogP of 6.53, 2 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)thiophen-2-yl]pyridine is sourced from PubChem (CID 141106928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).