6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

C18H16ClN3O2 — CID 112500028

IUPAC6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C18H16ClN3O2/c1-11-9-13(24-18-15(19)5-4-8-20-18)6-7-14(11)17-12(2)21-10-16(23)22(17)3/h4-10H,1-3H3
InChIKeyBJQLQUAXCPKNQA-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.90
Rot. Bonds3

About 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one

6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (PubChem CID 112500028) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
PubChem CID112500028
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one
SMILESCc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C
InChIInChI=1S/C18H16ClN3O2/c1-11-9-13(24-18-15(19)5-4-8-20-18)6-7-14(11)17-12(2)21-10-16(23)22(17)3/h4-10H,1-3H3
InChIKeyBJQLQUAXCPKNQA-UHFFFAOYSA-N
XLogP3.90
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one (CID 112500028) is 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is Cc1cc(Oc2ncccc2Cl)ccc1-c1c(C)ncc(=O)n1C.
What is the InChIKey of 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
The InChIKey is BJQLQUAXCPKNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-9-13(24-18-15(19)5-4-8-20-18)6-7-14(11)17-12(2)21-10-16(23)22(17)3/h4-10H,1-3H3.
What are the key properties of 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one?
6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one has a molecular weight of 341.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(3-chloro-2-pyridinyl)oxy]-2-methylphenyl]-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 112500028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).