(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone

C12H10FN3O3 — CID 113404104

IUPAC(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cnc(C(=O)c2ncccc2F)c(OC)n1
InChIInChI=1S/C12H10FN3O3/c1-18-8-6-15-10(12(16-8)19-2)11(17)9-7(13)4-3-5-14-9/h3-6H,1-2H3
InChIKeyIFRCKTCYLQMCTJ-UHFFFAOYSA-N
MW263.23 g/mol
LogP1.26
Rot. Bonds4

About (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone

(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone (PubChem CID 113404104) has the molecular formula C12H10FN3O3 and a molecular weight of 263.23 g/mol. Its IUPAC name is (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone
PubChem CID113404104
Molecular FormulaC12H10FN3O3
Molecular Weight263.23 g/mol
Exact Mass263.07
IUPAC Name(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone
SMILESCOc1cnc(C(=O)c2ncccc2F)c(OC)n1
InChIInChI=1S/C12H10FN3O3/c1-18-8-6-15-10(12(16-8)19-2)11(17)9-7(13)4-3-5-14-9/h3-6H,1-2H3
InChIKeyIFRCKTCYLQMCTJ-UHFFFAOYSA-N
XLogP1.26
TPSA74.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethoxypyrazin-2-yl)-3-(2-methylphenyl)propan-1-one
CID 105126474
cyclohexen-1-yl-(3,5-dimethoxypyrazin-2-yl)methanone
CID 103450024
CID 140752568
CID 140752568
(5-bromothiophen-3-yl)-(3,5-dimethoxypyrazin-2-yl)methanone
CID 105126339
(3,5-dimethoxypyrazin-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115796298
1-(3,5-dimethoxypyrazin-2-yl)-4-phenylbutan-1-one
CID 105126439
1-(3,5-dimethoxypyrazin-2-yl)-2-ethoxy-2-ethylbutan-1-one
CID 116747189
[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-(3-fluoro-2-pyridinyl)methanone
CID 114641932
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
1-(3,5-dimethoxypyrazin-2-yl)-2-ethylbut-2-en-1-one
CID 103447553
3-(2-fluorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 38534369

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone?
The IUPAC name of (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone (CID 113404104) is (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone is COc1cnc(C(=O)c2ncccc2F)c(OC)n1.
What is the InChIKey of (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone?
The InChIKey is IFRCKTCYLQMCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O3/c1-18-8-6-15-10(12(16-8)19-2)11(17)9-7(13)4-3-5-14-9/h3-6H,1-2H3.
What are the key properties of (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone?
(3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone has a molecular weight of 263.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxypyrazin-2-yl)-(3-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 113404104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).