5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine

C15H10ClFN4O — CID 71010161

IUPAC5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)cn1
InChIInChI=1S/C15H10ClFN4O/c16-11-4-3-9(22-15-12(17)2-1-5-19-15)6-10(11)13-7-21-14(18)8-20-13/h1-8H,(H2,18,21)
InChIKeyMISNJIFSZFZCGS-UHFFFAOYSA-N
MW316.72 g/mol
LogP3.71
Rot. Bonds3

About 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine

5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine (PubChem CID 71010161) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine
PubChem CID71010161
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)cn1
InChIInChI=1S/C15H10ClFN4O/c16-11-4-3-9(22-15-12(17)2-1-5-19-15)6-10(11)13-7-21-14(18)8-20-13/h1-8H,(H2,18,21)
InChIKeyMISNJIFSZFZCGS-UHFFFAOYSA-N
XLogP3.71
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine (CID 71010161) is 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine is Nc1cnc(-c2cc(Oc3ncccc3F)ccc2Cl)cn1.
What is the InChIKey of 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine?
The InChIKey is MISNJIFSZFZCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-11-4-3-9(22-15-12(17)2-1-5-19-15)6-10(11)13-7-21-14(18)8-20-13/h1-8H,(H2,18,21).
What are the key properties of 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine?
5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine has a molecular weight of 316.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-[(3-fluoro-2-pyridinyl)oxy]phenyl]pyrazin-2-amine is sourced from PubChem (CID 71010161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).