(2,3-difluorophenyl)-pyrazin-2-ylmethanone

C11H6F2N2O — CID 63987968

IUPAC(2,3-difluorophenyl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1cccc(F)c1F
InChIInChI=1S/C11H6F2N2O/c12-8-3-1-2-7(10(8)13)11(16)9-6-14-4-5-15-9/h1-6H
InChIKeySSSGFKVFVKAUEP-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.99
Rot. Bonds2

About (2,3-difluorophenyl)-pyrazin-2-ylmethanone

(2,3-difluorophenyl)-pyrazin-2-ylmethanone (PubChem CID 63987968) has the molecular formula C11H6F2N2O and a molecular weight of 220.18 g/mol. Its IUPAC name is (2,3-difluorophenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-pyrazin-2-ylmethanone
PubChem CID63987968
Molecular FormulaC11H6F2N2O
Molecular Weight220.18 g/mol
Exact Mass220.04
IUPAC Name(2,3-difluorophenyl)-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)c1cccc(F)c1F
InChIInChI=1S/C11H6F2N2O/c12-8-3-1-2-7(10(8)13)11(16)9-6-14-4-5-15-9/h1-6H
InChIKeySSSGFKVFVKAUEP-UHFFFAOYSA-N
XLogP1.99
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(5-methylpyrazin-2-yl)methanone
CID 105101741
2-(2,3-difluorophenyl)-1-pyrazin-2-ylethanone
CID 62621724
(2,3-dichlorophenyl)-pyrazin-2-ylmethanone
CID 62790951
(2-amino-5-fluorophenyl)-pyrazin-2-ylmethanone
CID 82685218
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337
(2,3-difluorophenyl)-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 118679658
(2,3-difluorophenyl)-(1-methylimidazol-4-yl)methanone
CID 107976884
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide
CID 59788574
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]pyrazine-2-carboxamide
CID 108542988
(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
N-(4-fluoro-1H-indazol-3-yl)pyrazine-2-carboxamide
CID 51102709

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (2,3-difluorophenyl)-pyrazin-2-ylmethanone (CID 63987968) is (2,3-difluorophenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2,3-difluorophenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2,3-difluorophenyl)-pyrazin-2-ylmethanone is O=C(c1cnccn1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-pyrazin-2-ylmethanone?
The InChIKey is SSSGFKVFVKAUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O/c12-8-3-1-2-7(10(8)13)11(16)9-6-14-4-5-15-9/h1-6H.
What are the key properties of (2,3-difluorophenyl)-pyrazin-2-ylmethanone?
(2,3-difluorophenyl)-pyrazin-2-ylmethanone has a molecular weight of 220.18 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 63987968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).