2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine

C9H4Cl2FN3S — CID 142433963

IUPAC2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine
SMILESFc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1
InChIInChI=1S/C9H4Cl2FN3S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H
InChIKeyGQOHRCACSVSWSW-UHFFFAOYSA-N
MW276.12 g/mol
LogP3.47
Rot. Bonds2

About 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine

2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine (PubChem CID 142433963) has the molecular formula C9H4Cl2FN3S and a molecular weight of 276.12 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine
PubChem CID142433963
Molecular FormulaC9H4Cl2FN3S
Molecular Weight276.12 g/mol
Exact Mass274.95
IUPAC Name2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine
SMILESFc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1
InChIInChI=1S/C9H4Cl2FN3S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H
InChIKeyGQOHRCACSVSWSW-UHFFFAOYSA-N
XLogP3.47
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine?
The IUPAC name of 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine (CID 142433963) is 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine is Fc1cc(Sc2cnc(Cl)cn2)c(Cl)cn1.
What is the InChIKey of 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine?
The InChIKey is GQOHRCACSVSWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2FN3S/c10-5-2-14-8(12)1-6(5)16-9-4-13-7(11)3-15-9/h1-4H.
What are the key properties of 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine?
2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine has a molecular weight of 276.12 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]pyrazine is sourced from PubChem (CID 142433963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).