(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone

C12H7F3N2O2 — CID 115797079

IUPAC(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCOc1nccnc1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H7F3N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3
InChIKeyAGIIFMTVKAHZMM-UHFFFAOYSA-N
MW268.19 g/mol
LogP2.13
Rot. Bonds3

About (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone

(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone (PubChem CID 115797079) has the molecular formula C12H7F3N2O2 and a molecular weight of 268.19 g/mol. Its IUPAC name is (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone.

Molecular Properties

Compound Name(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
PubChem CID115797079
Molecular FormulaC12H7F3N2O2
Molecular Weight268.19 g/mol
Exact Mass268.05
IUPAC Name(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
SMILESCOc1nccnc1C(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C12H7F3N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3
InChIKeyAGIIFMTVKAHZMM-UHFFFAOYSA-N
XLogP2.13
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797103
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421493
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(5-fluoro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515011
3-methoxypyrazine-2-carboxylic acid
CID 22395692
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
3-methoxypyrazine-2-carboxamide
CID 12571039
(3-methoxypyrazin-2-yl)-pyrazin-2-ylmethanone
CID 104514868
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
(3,5-dichloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 113421518
(5-chloro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515020
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846

Frequently Asked Questions

What is the IUPAC name of (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone?
The IUPAC name of (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone (CID 115797079) is (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone.
What is the SMILES notation for (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone?
The canonical SMILES for (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone is COc1nccnc1C(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone?
The InChIKey is AGIIFMTVKAHZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2/c1-19-12-10(16-2-3-17-12)11(18)9-7(14)4-6(13)5-8(9)15/h2-5H,1H3.
What are the key properties of (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone?
(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone has a molecular weight of 268.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone is sourced from PubChem (CID 115797079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).