(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone

C12H8F2N2O2 — CID 113421493

IUPAC(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8F2N2O2/c1-18-12-10(15-2-3-16-12)11(17)7-4-8(13)6-9(14)5-7/h2-6H,1H3
InChIKeyLRBJWNVSPDOCQP-UHFFFAOYSA-N
MW250.20 g/mol
LogP1.99
Rot. Bonds3

About (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone

(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 113421493) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID113421493
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCOc1nccnc1C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H8F2N2O2/c1-18-12-10(15-2-3-16-12)11(17)7-4-8(13)6-9(14)5-7/h2-6H,1H3
InChIKeyLRBJWNVSPDOCQP-UHFFFAOYSA-N
XLogP1.99
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone 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

(3-methoxypyrazin-2-yl)-(2,4,6-trifluorophenyl)methanone
CID 115797079
(3-fluoro-4-methoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797027
(3-bromo-5-methylphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797185
(3-methoxypyrazin-2-yl)-(5-methylfuran-3-yl)methanone
CID 115797106
(4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514841
(5-fluoro-2-pyridinyl)-(3-methoxypyrazin-2-yl)methanone
CID 104515011
(4-bromo-2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 115797103
(3-chlorophenyl)-(3-methoxypyrazin-2-yl)methanone
CID 104514846
3-methoxypyrazine-2-carboxylic acid
CID 22395692
3-methoxypyrazine-2-carboxamide
CID 12571039
(3-methoxypyrazin-2-yl)-pyrazin-2-ylmethanone
CID 104514868
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone (CID 113421493) is (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone is COc1nccnc1C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is LRBJWNVSPDOCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c1-18-12-10(15-2-3-16-12)11(17)7-4-8(13)6-9(14)5-7/h2-6H,1H3.
What are the key properties of (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone?
(3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 250.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 113421493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).