(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone

C12H8F2N2O — CID 82820337

IUPAC(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
SMILESCc1ccc(F)c(C(=O)c2cnccn2)c1F
InChIInChI=1S/C12H8F2N2O/c1-7-2-3-8(13)10(11(7)14)12(17)9-6-15-4-5-16-9/h2-6H,1H3
InChIKeyPRTXXLHEJZVMAM-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.29
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone

(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone (PubChem CID 82820337) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
PubChem CID82820337
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
SMILESCc1ccc(F)c(C(=O)c2cnccn2)c1F
InChIInChI=1S/C12H8F2N2O/c1-7-2-3-8(13)10(11(7)14)12(17)9-6-15-4-5-16-9/h2-6H,1H3
InChIKeyPRTXXLHEJZVMAM-UHFFFAOYSA-N
XLogP2.29
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-difluorophenyl)-pyrazin-2-ylmethanone
CID 63987968
(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone
CID 114269282
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58065981
(2-methylpyrimidin-4-yl)-pyrazin-2-ylmethanone
CID 115529870
[2-methyl-4-(trifluoromethyl)phenyl]-pyrazin-2-ylmethanone
CID 102752335
N-(5-bromo-4-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 82814313
(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
pyrazin-2-yl(pyridin-2-yl)methanone
CID 22931525
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone (CID 82820337) is (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone is Cc1ccc(F)c(C(=O)c2cnccn2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone?
The InChIKey is PRTXXLHEJZVMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c1-7-2-3-8(13)10(11(7)14)12(17)9-6-15-4-5-16-9/h2-6H,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone?
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone has a molecular weight of 234.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 82820337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).