(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone

C13H11FN2O3 — CID 115797027

IUPAC(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nccnc2OC)cc1F
InChIInChI=1S/C13H11FN2O3/c1-18-10-4-3-8(7-9(10)14)12(17)11-13(19-2)16-6-5-15-11/h3-7H,1-2H3
InChIKeyZPLVQMQATOKTPV-UHFFFAOYSA-N
MW262.24 g/mol
LogP1.86
Rot. Bonds4

About (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone

(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115797027) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115797027
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1ccc(C(=O)c2nccnc2OC)cc1F
InChIInChI=1S/C13H11FN2O3/c1-18-10-4-3-8(7-9(10)14)12(17)11-13(19-2)16-6-5-15-11/h3-7H,1-2H3
InChIKeyZPLVQMQATOKTPV-UHFFFAOYSA-N
XLogP1.86
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
CID 115797079
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
(3-fluoro-4-methoxyphenyl)-quinolin-6-ylmethanone
CID 62850433
(3-fluoro-4-methoxyphenyl)-(1,3-thiazol-4-yl)methanone
CID 78923588
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3,5-dichlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 24723233
(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
3-fluoro-4-methoxybenzoate
CID 4251674
2,3-dihydro-1-benzofuran-5-yl-(3-methoxypyrazin-2-yl)methanone
CID 115797247

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone (CID 115797027) is (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone is COc1ccc(C(=O)c2nccnc2OC)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is ZPLVQMQATOKTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-18-10-4-3-8(7-9(10)14)12(17)11-13(19-2)16-6-5-15-11/h3-7H,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone?
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 262.24 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115797027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).