2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine

C10H5BrClFN2S — CID 79733952

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1ccc(Br)cn1
InChIInChI=1S/C10H5BrClFN2S/c11-6-1-2-9(14-4-6)16-10-8(13)3-7(12)5-15-10/h1-5H
InChIKeyYGOWEVKGSHVNNJ-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.18
Rot. Bonds2

About 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine

2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine (PubChem CID 79733952) has the molecular formula C10H5BrClFN2S and a molecular weight of 319.59 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine
PubChem CID79733952
Molecular FormulaC10H5BrClFN2S
Molecular Weight319.59 g/mol
Exact Mass317.90
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1ccc(Br)cn1
InChIInChI=1S/C10H5BrClFN2S/c11-6-1-2-9(14-4-6)16-10-8(13)3-7(12)5-15-10/h1-5H
InChIKeyYGOWEVKGSHVNNJ-UHFFFAOYSA-N
XLogP4.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine (CID 79733952) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine is Fc1cc(Cl)cnc1Sc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine?
The InChIKey is YGOWEVKGSHVNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrClFN2S/c11-6-1-2-9(14-4-6)16-10-8(13)3-7(12)5-15-10/h1-5H.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine?
2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine has a molecular weight of 319.59 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-5-chloro-3-fluoropyridine is sourced from PubChem (CID 79733952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).