2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine

C11H6BrClFNS — CID 79734548

IUPAC2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1cccc(Br)c1
InChIInChI=1S/C11H6BrClFNS/c12-7-2-1-3-9(4-7)16-11-10(14)5-8(13)6-15-11/h1-6H
InChIKeyXJEOWIKXNVDHKE-UHFFFAOYSA-N
MW318.60 g/mol
LogP4.79
Rot. Bonds2

About 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine

2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine (PubChem CID 79734548) has the molecular formula C11H6BrClFNS and a molecular weight of 318.60 g/mol. Its IUPAC name is 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
PubChem CID79734548
Molecular FormulaC11H6BrClFNS
Molecular Weight318.60 g/mol
Exact Mass316.91
IUPAC Name2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine
SMILESFc1cc(Cl)cnc1Sc1cccc(Br)c1
InChIInChI=1S/C11H6BrClFNS/c12-7-2-1-3-9(4-7)16-11-10(14)5-8(13)6-15-11/h1-6H
InChIKeyXJEOWIKXNVDHKE-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.60
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine?
The IUPAC name of 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine (CID 79734548) is 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine.
What is the SMILES notation for 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine?
The canonical SMILES for 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine is Fc1cc(Cl)cnc1Sc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine?
The InChIKey is XJEOWIKXNVDHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFNS/c12-7-2-1-3-9(4-7)16-11-10(14)5-8(13)6-15-11/h1-6H.
What are the key properties of 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine?
2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine has a molecular weight of 318.60 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)sulfanyl-5-chloro-3-fluoropyridine is sourced from PubChem (CID 79734548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).