2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine

C18H16BrF2N3O — CID 141203515

IUPAC2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine
SMILESCC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1Cc1cnccn1
InChIInChI=1S/C18H16BrF2N3O/c1-12-6-18(25-11-13-2-3-14(20)7-17(13)21)16(19)10-24(12)9-15-8-22-4-5-23-15/h2-8H,9-11H2,1H3
InChIKeyHJCOWHJMPBPJDW-UHFFFAOYSA-N
MW408.25 g/mol
LogP4.30
Rot. Bonds5

About 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine

2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine (PubChem CID 141203515) has the molecular formula C18H16BrF2N3O and a molecular weight of 408.25 g/mol. Its IUPAC name is 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine
PubChem CID141203515
Molecular FormulaC18H16BrF2N3O
Molecular Weight408.25 g/mol
Exact Mass407.04
IUPAC Name2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine
SMILESCC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1Cc1cnccn1
InChIInChI=1S/C18H16BrF2N3O/c1-12-6-18(25-11-13-2-3-14(20)7-17(13)21)16(19)10-24(12)9-15-8-22-4-5-23-15/h2-8H,9-11H2,1H3
InChIKeyHJCOWHJMPBPJDW-UHFFFAOYSA-N
XLogP4.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.25
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-(2,4-difluorobenzyloxy)-6-methyl-1-(pyridin-3-yl)pyridin-2(1H)-one
CID 46882405
3-Bromo-4-[(4-fluorophenyl)methoxy]-6-methyl-1-(pyridin-2-ylmethyl)pyridin-2-one
CID 10216193
1-[(5-Aminopyrazin-2-yl)methyl]-3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 21035296
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyrazin-2-yl]methyl]-6-methylpyridin-2-one
CID 21035319
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-6-methylpyridin-2-one
CID 21035321
Methyl (5-{[3-Bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]methyl}pyrazin-2-yl)methyl(methyl)carbamate
CID 21035374
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[[5-(methylaminomethyl)pyrazin-2-yl]methyl]pyrimidin-4-one
CID 21089687
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-one
CID 21089688
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-2-methyl-3-(pyrazin-2-ylmethyl)pyrimidin-4-one
CID 21089691
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[[2-hydroxyethyl(methyl)amino]methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
CID 21089785
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
CID 21089792
5-Bromo-6-[(2,4-difluorophenyl)methoxy]-3-[[5-(methoxymethyl)pyrazin-2-yl]methyl]-2-methylpyrimidin-4-one
CID 21089798

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine?
The IUPAC name of 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine (CID 141203515) is 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine is CC1=CC(OCc2ccc(F)cc2F)=C(Br)CN1Cc1cnccn1.
What is the InChIKey of 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine?
The InChIKey is HJCOWHJMPBPJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N3O/c1-12-6-18(25-11-13-2-3-14(20)7-17(13)21)16(19)10-24(12)9-15-8-22-4-5-23-15/h2-8H,9-11H2,1H3.
What are the key properties of 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine?
2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine has a molecular weight of 408.25 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2H-pyridin-1-yl]methyl]pyrazine is sourced from PubChem (CID 141203515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).