8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one

C19H12F3N3O2 — CID 141264681

IUPAC8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one
SMILESO=c1cc(-c2cccnc2C(F)(F)F)oc2c(N3C=CN=CC3)cccc12
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)18-13(4-2-6-24-18)16-11-15(26)12-3-1-5-14(17(12)27-16)25-9-7-23-8-10-25/h1-9,11H,10H2
InChIKeyQEXVEZKWPYEYBP-UHFFFAOYSA-N
MW371.32 g/mol
LogP4.24
Rot. Bonds2

About 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one

8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one (PubChem CID 141264681) has the molecular formula C19H12F3N3O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one.

Molecular Properties

Compound Name8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one
PubChem CID141264681
Molecular FormulaC19H12F3N3O2
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC Name8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one
SMILESO=c1cc(-c2cccnc2C(F)(F)F)oc2c(N3C=CN=CC3)cccc12
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)18-13(4-2-6-24-18)16-11-15(26)12-3-1-5-14(17(12)27-16)25-9-7-23-8-10-25/h1-9,11H,10H2
InChIKeyQEXVEZKWPYEYBP-UHFFFAOYSA-N
XLogP4.24
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one?
The IUPAC name of 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one (CID 141264681) is 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one.
What is the SMILES notation for 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one?
The canonical SMILES for 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one is O=c1cc(-c2cccnc2C(F)(F)F)oc2c(N3C=CN=CC3)cccc12.
What is the InChIKey of 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one?
The InChIKey is QEXVEZKWPYEYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2/c20-19(21,22)18-13(4-2-6-24-18)16-11-15(26)12-3-1-5-14(17(12)27-16)25-9-7-23-8-10-25/h1-9,11H,10H2.
What are the key properties of 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one?
8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one has a molecular weight of 371.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2H-pyrazin-1-yl)-2-[2-(trifluoromethyl)-3-pyridinyl]chromen-4-one is sourced from PubChem (CID 141264681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).