2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine

C16H11BrFNS — CID 171574146

IUPAC2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine
SMILESFc1cc(Br)ccc1-c1cc2c(C3CC3)ccnc2s1
InChIInChI=1S/C16H11BrFNS/c17-10-3-4-12(14(18)7-10)15-8-13-11(9-1-2-9)5-6-19-16(13)20-15/h3-9H,1-2H2
InChIKeySLBFWBBBAPJYOM-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.74
Rot. Bonds2

About 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine

2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine (PubChem CID 171574146) has the molecular formula C16H11BrFNS and a molecular weight of 348.24 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine
PubChem CID171574146
Molecular FormulaC16H11BrFNS
Molecular Weight348.24 g/mol
Exact Mass346.98
IUPAC Name2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine
SMILESFc1cc(Br)ccc1-c1cc2c(C3CC3)ccnc2s1
InChIInChI=1S/C16H11BrFNS/c17-10-3-4-12(14(18)7-10)15-8-13-11(9-1-2-9)5-6-19-16(13)20-15/h3-9H,1-2H2
InChIKeySLBFWBBBAPJYOM-UHFFFAOYSA-N
XLogP5.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine (CID 171574146) is 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine is Fc1cc(Br)ccc1-c1cc2c(C3CC3)ccnc2s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine?
The InChIKey is SLBFWBBBAPJYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFNS/c17-10-3-4-12(14(18)7-10)15-8-13-11(9-1-2-9)5-6-19-16(13)20-15/h3-9H,1-2H2.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine?
2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine has a molecular weight of 348.24 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-4-cyclopropylthieno[2,3-b]pyridine is sourced from PubChem (CID 171574146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).