2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine

C9H5ClFN3O — CID 131122602

IUPAC2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine
SMILESFc1cncc(Oc2cnc(Cl)cn2)c1
InChIInChI=1S/C9H5ClFN3O/c10-8-4-14-9(5-13-8)15-7-1-6(11)2-12-3-7/h1-5H
InChIKeyQIELWEIKDMVKLF-UHFFFAOYSA-N
MW225.61 g/mol
LogP2.46
Rot. Bonds2

About 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine

2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine (PubChem CID 131122602) has the molecular formula C9H5ClFN3O and a molecular weight of 225.61 g/mol. Its IUPAC name is 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine
PubChem CID131122602
Molecular FormulaC9H5ClFN3O
Molecular Weight225.61 g/mol
Exact Mass225.01
IUPAC Name2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine
SMILESFc1cncc(Oc2cnc(Cl)cn2)c1
InChIInChI=1S/C9H5ClFN3O/c10-8-4-14-9(5-13-8)15-7-1-6(11)2-12-3-7/h1-5H
InChIKeyQIELWEIKDMVKLF-UHFFFAOYSA-N
XLogP2.46
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine?
The IUPAC name of 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine (CID 131122602) is 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine.
What is the SMILES notation for 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine?
The canonical SMILES for 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine is Fc1cncc(Oc2cnc(Cl)cn2)c1.
What is the InChIKey of 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine?
The InChIKey is QIELWEIKDMVKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFN3O/c10-8-4-14-9(5-13-8)15-7-1-6(11)2-12-3-7/h1-5H.
What are the key properties of 2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine?
2-chloro-5-[(5-fluoro-3-pyridinyl)oxy]pyrazine has a molecular weight of 225.61 g/mol, XLogP of 2.46, 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-fluoro-3-pyridinyl)oxy]pyrazine is sourced from PubChem (CID 131122602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).